 Entering Gaussian System, Link 0=g16
 Input=11_L-cysteine_conformer08_STD_LCPBE_augccpVDZ.in
 Output=11_L-cysteine_conformer08_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-122728.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    122764.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=11_L-cysteine_conformer08_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=033600000
 0,3/108=0336000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=336000000,108=336000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:19:53 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "11_L-cysteine_conformer08_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.761862000000     -0.588209000000      0.435893000000
  S                                                 2.483354000000     -0.175052000000     -0.048255000000
  C                                                -0.225287000000      0.170464000000     -0.451796000000
  N                                                -0.127633000000      1.615463000000     -0.235189000000
  C                                                -1.637783000000     -0.323724000000     -0.083339000000
  O                                                -2.038501000000     -1.416287000000     -0.375336000000
  O                                                -2.350874000000      0.562455000000      0.617876000000
  H                                                -0.057499000000     -0.120065000000     -1.493087000000
  H                                                 0.610604000000     -0.305865000000      1.477689000000
  H                                                 0.587510000000     -1.654777000000      0.324053000000
  H                                                -1.776658000000      1.360502000000      0.685452000000
  H                                                 0.813664000000      1.874630000000      0.039632000000
  H                                                -0.355531000000      2.133785000000     -1.074456000000
  H                                                 3.059912000000     -0.516154000000      1.114249000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          32          12          14          12          16          16           1           1           1
 AtmWgt=  12.0000000  31.9720718  12.0000000  14.0030740  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           2           0           0           0           1           1           1
 AtZEff=   3.6000000  13.6000000   3.6000000   4.5500000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000  16.0000000   6.0000000   7.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Aug 16 21:19:54 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.761862   -0.588209    0.435893
      2         16           0        2.483354   -0.175052   -0.048255
      3          6           0       -0.225287    0.170464   -0.451796
      4          7           0       -0.127633    1.615463   -0.235189
      5          6           0       -1.637783   -0.323724   -0.083339
      6          8           0       -2.038501   -1.416287   -0.375336
      7          8           0       -2.350874    0.562455    0.617876
      8          1           0       -0.057499   -0.120065   -1.493087
      9          1           0        0.610604   -0.305865    1.477689
     10          1           0        0.587510   -1.654777    0.324053
     11          1           0       -1.776658    1.360502    0.685452
     12          1           0        0.813664    1.874630    0.039632
     13          1           0       -0.355531    2.133785   -1.074456
     14          1           0        3.059912   -0.516154    1.114249
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  S    1.835384   0.000000
     3  C    1.529065   2.760247   0.000000
     4  N    2.469357   3.171457   1.464403   0.000000
     5  C    2.469383   4.123967   1.541145   2.462531   0.000000
     6  O    3.030815   4.700513   2.410678   3.586442   1.199805
     7  O    3.323593   4.935322   2.411633   2.603718   1.336231
     8  H    2.147435   2.923439   1.094005   2.144594   2.127478
     9  H    1.089925   2.419258   2.156042   2.677769   2.737220
    10  H    1.086496   2.433603   2.143382   3.393914   2.624805
    11  H    3.209959   4.587369   2.261919   1.905746   1.856594
    12  H    2.495052   2.645144   2.055505   1.014265   3.295068
    13  H    3.307412   3.800406   2.063807   1.012405   2.943779
    14  H    2.397163   1.341710   3.703576   4.065122   4.851761
                    6          7          8          9         10
     6  O    0.000000
     7  O    2.235949   0.000000
     8  H    2.618001   3.190857   0.000000
     9  H    3.418259   3.203687   3.050638   0.000000
    10  H    2.727995   3.692770   2.464422   1.775098   0.000000
    11  H    2.984022   0.985479   3.145412   3.017190   3.848611
    12  H    4.374606   3.474258   2.662135   2.619885   3.548064
    13  H    3.990510   3.051960   2.311691   3.660431   4.147090
    14  H    5.387292   5.539530   4.083300   2.485039   2.834368
                   11         12         13         14
    11  H    0.000000
    12  H    2.718672   0.000000
    13  H    2.390574   1.635656   0.000000
    14  H    5.205585   3.451997   4.845395   0.000000
 Stoichiometry    C3H7NO2S
 Framework group  C1[X(C3H7NO2S)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 8.93D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.761862   -0.588209    0.435893
      2         16           0        2.483354   -0.175052   -0.048255
      3          6           0       -0.225287    0.170464   -0.451796
      4          7           0       -0.127633    1.615463   -0.235189
      5          6           0       -1.637783   -0.323724   -0.083339
      6          8           0       -2.038501   -1.416287   -0.375336
      7          8           0       -2.350874    0.562455    0.617876
      8          1           0       -0.057499   -0.120065   -1.493087
      9          1           0        0.610604   -0.305865    1.477689
     10          1           0        0.587510   -1.654777    0.324053
     11          1           0       -1.776658    1.360502    0.685452
     12          1           0        0.813664    1.874630    0.039632
     13          1           0       -0.355531    2.133785   -1.074456
     14          1           0        3.059912   -0.516154    1.114249
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.4000722           1.1821391           1.0113058
 Leave Link  202 at Mon Aug 16 21:19:54 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      3      5
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  2.4763500000D-04
     Exponent=  1.6610000000D+04 Coefficients=  1.9202600000D-03
     Exponent=  3.7810000000D+03 Coefficients=  9.9619200000D-03
     Exponent=  1.0710000000D+03 Coefficients=  4.0297500000D-02
     Exponent=  3.4980000000D+02 Coefficients=  1.2860400000D-01
     Exponent=  1.2630000000D+02 Coefficients=  3.0348000000D-01
     Exponent=  4.9260000000D+01 Coefficients=  4.2143200000D-01
     Exponent=  2.0160000000D+01 Coefficients=  2.3078100000D-01
     Exponent=  5.7200000000D+00 Coefficients=  1.7897100000D-02
     Exponent=  2.1820000000D+00 Coefficients= -2.9751600000D-03
     Exponent=  4.3270000000D-01 Coefficients=  8.4952200000D-04
     Exponent=  1.5700000000D-01 Coefficients= -3.6793600000D-04
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients= -6.8703900000D-05
     Exponent=  1.6610000000D+04 Coefficients= -5.2768100000D-04
     Exponent=  3.7810000000D+03 Coefficients= -2.7967100000D-03
     Exponent=  1.0710000000D+03 Coefficients= -1.1265100000D-02
     Exponent=  3.4980000000D+02 Coefficients= -3.8883400000D-02
     Exponent=  1.2630000000D+02 Coefficients= -9.9502500000D-02
     Exponent=  4.9260000000D+01 Coefficients= -1.9974000000D-01
     Exponent=  2.0160000000D+01 Coefficients= -1.2336000000D-01
     Exponent=  5.7200000000D+00 Coefficients=  5.1319400000D-01
     Exponent=  2.1820000000D+00 Coefficients=  6.0712000000D-01
     Exponent=  4.3270000000D-01 Coefficients=  3.9675300000D-02
     Exponent=  1.5700000000D-01 Coefficients= -9.4686400000D-03
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  1.9907700000D-05
     Exponent=  1.6610000000D+04 Coefficients=  1.5348300000D-04
     Exponent=  3.7810000000D+03 Coefficients=  8.0950300000D-04
     Exponent=  1.0710000000D+03 Coefficients=  3.2897400000D-03
     Exponent=  3.4980000000D+02 Coefficients=  1.1296700000D-02
     Exponent=  1.2630000000D+02 Coefficients=  2.9638500000D-02
     Exponent=  4.9260000000D+01 Coefficients=  5.9985100000D-02
     Exponent=  2.0160000000D+01 Coefficients=  4.1324800000D-02
     Exponent=  5.7200000000D+00 Coefficients= -2.0747400000D-01
     Exponent=  2.1820000000D+00 Coefficients= -3.9288900000D-01
     Exponent=  4.3270000000D-01 Coefficients=  6.3284000000D-01
     Exponent=  1.5700000000D-01 Coefficients=  5.5692400000D-01
 S 1 1.00
     Exponent=  1.5700000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.0700000000D-02 Coefficients=  1.0000000000D+00
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients=  4.4754100000D-03
     Exponent=  9.4190000000D+01 Coefficients=  3.4170800000D-02
     Exponent=  2.9750000000D+01 Coefficients=  1.4425000000D-01
     Exponent=  1.0770000000D+01 Coefficients=  3.5392800000D-01
     Exponent=  4.1190000000D+00 Coefficients=  4.5908500000D-01
     Exponent=  1.6250000000D+00 Coefficients=  2.0638300000D-01
     Exponent=  4.7260000000D-01 Coefficients=  1.0214100000D-02
     Exponent=  1.4070000000D-01 Coefficients= -6.0312200000D-05
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients= -1.1625100000D-03
     Exponent=  9.4190000000D+01 Coefficients= -8.6566400000D-03
     Exponent=  2.9750000000D+01 Coefficients= -3.9088600000D-02
     Exponent=  1.0770000000D+01 Coefficients= -9.3462500000D-02
     Exponent=  4.1190000000D+00 Coefficients= -1.4799400000D-01
     Exponent=  1.6250000000D+00 Coefficients=  3.0190400000D-02
     Exponent=  4.7260000000D-01 Coefficients=  5.6157300000D-01
     Exponent=  1.4070000000D-01 Coefficients=  5.3477600000D-01
 P 1 1.00
     Exponent=  1.4070000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.9900000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.7900000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 282 were deleted.
 There are   242 symmetry adapted cartesian basis functions of A   symmetry.
 There are   228 symmetry adapted basis functions of A   symmetry.
   228 basis functions,   447 primitive gaussians,   242 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       376.1338853749 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.336000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.336000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:19:55 2021, MaxMem=  5637144576 cpu:              11.1 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   228 RedAO= T EigKep=  1.60D-05  NBF=   228
 NBsUse=   228 1.00D-06 EigRej= -1.00D+00 NBFU=   228
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   242   242   242   242   242 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "11_L-cysteine_conformer08_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5637023126 LenY=  5636964121
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -720.707190283757    
 DIIS: error= 5.52D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -720.707190283757     IErMin= 1 ErrMin= 5.52D-03
 ErrMax= 5.52D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-02 BMatP= 1.12D-02
 IDIUse=3 WtCom= 9.45D-01 WtEn= 5.52D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.431 Goal=   None    Shift=    0.000
 GapD=    0.431 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=7.29D-03 MaxDP=2.77D-01              OVMax= 1.63D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.25D-03    CP:  9.71D-01
 E= -720.716147165167     Delta-E=       -0.008956881410 Rises=F Damp=F
 DIIS: error= 1.83D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -720.716147165167     IErMin= 2 ErrMin= 1.83D-03
 ErrMax= 1.83D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.40D-03 BMatP= 1.12D-02
 IDIUse=3 WtCom= 9.82D-01 WtEn= 1.83D-02
 Coeff-Com:  0.134D+00 0.866D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.131D+00 0.869D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=1.02D-03 MaxDP=3.82D-02 DE=-8.96D-03 OVMax= 1.29D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.96D-04    CP:  9.69D-01  1.10D+00
 E= -720.716554469319     Delta-E=       -0.000407304152 Rises=F Damp=F
 DIIS: error= 1.63D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -720.716554469319     IErMin= 3 ErrMin= 1.63D-03
 ErrMax= 1.63D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-03 BMatP= 1.40D-03
 IDIUse=3 WtCom= 9.84D-01 WtEn= 1.63D-02
 Coeff-Com: -0.372D-01 0.478D+00 0.559D+00
 Coeff-En:   0.000D+00 0.382D+00 0.618D+00
 Coeff:     -0.366D-01 0.477D+00 0.560D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=3.83D-04 MaxDP=1.48D-02 DE=-4.07D-04 OVMax= 6.08D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.58D-04    CP:  9.68D-01  1.14D+00  1.08D+00
 E= -720.717351136720     Delta-E=       -0.000796667400 Rises=F Damp=F
 DIIS: error= 1.66D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -720.717351136720     IErMin= 4 ErrMin= 1.66D-04
 ErrMax= 1.66D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.61D-05 BMatP= 1.14D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.66D-03
 Coeff-Com: -0.142D-01 0.832D-01 0.144D+00 0.787D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.141D-01 0.831D-01 0.143D+00 0.788D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=1.08D-04 MaxDP=5.02D-03 DE=-7.97D-04 OVMax= 1.48D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.09D-05    CP:  9.67D-01  1.15D+00  1.19D+00  1.10D+00
 E= -720.717365026560     Delta-E=       -0.000013889840 Rises=F Damp=F
 DIIS: error= 9.87D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -720.717365026560     IErMin= 5 ErrMin= 9.87D-05
 ErrMax= 9.87D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.16D-06 BMatP= 1.61D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.361D-03-0.535D-01-0.381D-01 0.427D+00 0.664D+00
 Coeff:      0.361D-03-0.535D-01-0.381D-01 0.427D+00 0.664D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=5.30D-05 MaxDP=2.66D-03 DE=-1.39D-05 OVMax= 7.92D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.45D-05    CP:  9.67D-01  1.15D+00  1.23D+00  1.19D+00  1.19D+00
 E= -720.717371339646     Delta-E=       -0.000006313086 Rises=F Damp=F
 DIIS: error= 1.82D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -720.717371339646     IErMin= 6 ErrMin= 1.82D-05
 ErrMax= 1.82D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.68D-07 BMatP= 7.16D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.151D-02-0.270D-01-0.273D-01 0.889D-01 0.249D+00 0.715D+00
 Coeff:      0.151D-02-0.270D-01-0.273D-01 0.889D-01 0.249D+00 0.715D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=1.26D-05 MaxDP=7.24D-04 DE=-6.31D-06 OVMax= 2.28D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.84D-06    CP:  9.67D-01  1.15D+00  1.24D+00  1.21D+00  1.30D+00
                    CP:  1.19D+00
 E= -720.717371764014     Delta-E=       -0.000000424367 Rises=F Damp=F
 DIIS: error= 5.75D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -720.717371764014     IErMin= 7 ErrMin= 5.75D-06
 ErrMax= 5.75D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.14D-08 BMatP= 3.68D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.356D-03-0.552D-03-0.258D-02-0.303D-01-0.155D-01 0.196D+00
 Coeff-Com:  0.852D+00
 Coeff:      0.356D-03-0.552D-03-0.258D-02-0.303D-01-0.155D-01 0.196D+00
 Coeff:      0.852D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=5.48D-06 MaxDP=2.81D-04 DE=-4.24D-07 OVMax= 9.79D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.68D-06    CP:  9.67D-01  1.15D+00  1.24D+00  1.21D+00  1.35D+00
                    CP:  1.31D+00  1.24D+00
 E= -720.717371816216     Delta-E=       -0.000000052203 Rises=F Damp=F
 DIIS: error= 2.12D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -720.717371816216     IErMin= 8 ErrMin= 2.12D-06
 ErrMax= 2.12D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.15D-09 BMatP= 3.14D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.412D-04 0.272D-02 0.212D-02-0.200D-01-0.323D-01-0.115D-01
 Coeff-Com:  0.283D+00 0.777D+00
 Coeff:     -0.412D-04 0.272D-02 0.212D-02-0.200D-01-0.323D-01-0.115D-01
 Coeff:      0.283D+00 0.777D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=1.82D-06 MaxDP=7.61D-05 DE=-5.22D-08 OVMax= 3.20D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.20D-07    CP:  9.67D-01  1.15D+00  1.24D+00  1.21D+00  1.36D+00
                    CP:  1.35D+00  1.34D+00  1.22D+00
 E= -720.717371822383     Delta-E=       -0.000000006166 Rises=F Damp=F
 DIIS: error= 6.56D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -720.717371822383     IErMin= 9 ErrMin= 6.56D-07
 ErrMax= 6.56D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.96D-10 BMatP= 4.15D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.460D-04 0.889D-03 0.930D-03-0.327D-02-0.855D-02-0.249D-01
 Coeff-Com: -0.565D-02 0.234D+00 0.807D+00
 Coeff:     -0.460D-04 0.889D-03 0.930D-03-0.327D-02-0.855D-02-0.249D-01
 Coeff:     -0.565D-02 0.234D+00 0.807D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=6.14D-07 MaxDP=2.70D-05 DE=-6.17D-09 OVMax= 1.40D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.11D-07    CP:  9.67D-01  1.15D+00  1.24D+00  1.21D+00  1.37D+00
                    CP:  1.36D+00  1.39D+00  1.35D+00  1.18D+00
 E= -720.717371823084     Delta-E=       -0.000000000701 Rises=F Damp=F
 DIIS: error= 1.71D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -720.717371823084     IErMin=10 ErrMin= 1.71D-07
 ErrMax= 1.71D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.59D-11 BMatP= 3.96D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.174D-05-0.200D-03-0.112D-03 0.192D-02 0.281D-02-0.188D-02
 Coeff-Com: -0.312D-01-0.574D-01 0.102D+00 0.985D+00
 Coeff:     -0.174D-05-0.200D-03-0.112D-03 0.192D-02 0.281D-02-0.188D-02
 Coeff:     -0.312D-01-0.574D-01 0.102D+00 0.985D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=1.87D-07 MaxDP=8.68D-06 DE=-7.01D-10 OVMax= 6.01D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  7.43D-08    CP:  9.67D-01  1.15D+00  1.24D+00  1.21D+00  1.37D+00
                    CP:  1.36D+00  1.40D+00  1.40D+00  1.29D+00  1.20D+00
 E= -720.717371823173     Delta-E=       -0.000000000089 Rises=F Damp=F
 DIIS: error= 6.57D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -720.717371823173     IErMin=11 ErrMin= 6.57D-08
 ErrMax= 6.57D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.12D-12 BMatP= 2.59D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.323D-05-0.814D-04-0.779D-04 0.437D-03 0.893D-03 0.125D-02
 Coeff-Com: -0.299D-02-0.212D-01-0.423D-01 0.107D+00 0.957D+00
 Coeff:      0.323D-05-0.814D-04-0.779D-04 0.437D-03 0.893D-03 0.125D-02
 Coeff:     -0.299D-02-0.212D-01-0.423D-01 0.107D+00 0.957D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=3.98D-08 MaxDP=1.63D-06 DE=-8.87D-11 OVMax= 2.14D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.16D-08    CP:  9.67D-01  1.15D+00  1.24D+00  1.21D+00  1.37D+00
                    CP:  1.36D+00  1.40D+00  1.40D+00  1.31D+00  1.27D+00
                    CP:  1.24D+00
 E= -720.717371823172     Delta-E=        0.000000000001 Rises=F Damp=F
 DIIS: error= 3.02D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -720.717371823173     IErMin=12 ErrMin= 3.02D-08
 ErrMax= 3.02D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.35D-13 BMatP= 2.12D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.109D-05 0.451D-05-0.756D-05-0.146D-03-0.144D-03 0.588D-03
 Coeff-Com:  0.348D-02 0.251D-02-0.273D-01-0.113D+00 0.284D+00 0.850D+00
 Coeff:      0.109D-05 0.451D-05-0.756D-05-0.146D-03-0.144D-03 0.588D-03
 Coeff:      0.348D-02 0.251D-02-0.273D-01-0.113D+00 0.284D+00 0.850D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=1.46D-08 MaxDP=5.34D-07 DE= 9.09D-13 OVMax= 1.01D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  9.96D-09    CP:  9.67D-01  1.15D+00  1.24D+00  1.21D+00  1.37D+00
                    CP:  1.36D+00  1.40D+00  1.40D+00  1.31D+00  1.29D+00
                    CP:  1.35D+00  1.15D+00
 E= -720.717371823182     Delta-E=       -0.000000000010 Rises=F Damp=F
 DIIS: error= 1.18D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -720.717371823182     IErMin=13 ErrMin= 1.18D-08
 ErrMax= 1.18D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.37D-14 BMatP= 5.35D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.287D-06 0.149D-04 0.115D-04-0.106D-03-0.181D-03-0.704D-04
 Coeff-Com:  0.123D-02 0.432D-02 0.828D-03-0.445D-01-0.915D-01 0.180D+00
 Coeff-Com:  0.950D+00
 Coeff:     -0.287D-06 0.149D-04 0.115D-04-0.106D-03-0.181D-03-0.704D-04
 Coeff:      0.123D-02 0.432D-02 0.828D-03-0.445D-01-0.915D-01 0.180D+00
 Coeff:      0.950D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=6.71D-09 MaxDP=2.35D-07 DE=-1.02D-11 OVMax= 4.75D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -720.717371823     A.U. after   13 cycles
            NFock= 13  Conv=0.67D-08     -V/T= 2.0035
 KE= 7.182278038700D+02 PE=-2.455043832040D+03 EE= 6.399647709720D+02
 Leave Link  502 at Mon Aug 16 21:20:56 2021, MaxMem=  5637144576 cpu:             477.8 elap:              59.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   228
 NBasis=   228 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    228 NOA=    32 NOB=    32 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.51073887D+02

 Leave Link  801 at Mon Aug 16 21:20:56 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4327 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.05D-13 8.33D-09 XBig12= 1.00D+00 1.90D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.05D-13 8.33D-09 XBig12= 1.81D-01 9.85D-02.
     11 vectors produced by pass  2 Test12= 1.05D-13 8.33D-09 XBig12= 3.02D-02 2.95D-02.
     11 vectors produced by pass  3 Test12= 1.05D-13 8.33D-09 XBig12= 2.73D-03 1.05D-02.
     11 vectors produced by pass  4 Test12= 1.05D-13 8.33D-09 XBig12= 1.09D-04 1.79D-03.
     11 vectors produced by pass  5 Test12= 1.05D-13 8.33D-09 XBig12= 3.68D-06 2.80D-04.
     11 vectors produced by pass  6 Test12= 1.05D-13 8.33D-09 XBig12= 1.13D-07 4.73D-05.
     11 vectors produced by pass  7 Test12= 1.05D-13 8.33D-09 XBig12= 2.45D-09 5.66D-06.
     11 vectors produced by pass  8 Test12= 1.05D-13 8.33D-09 XBig12= 4.75D-11 8.83D-07.
     11 vectors produced by pass  9 Test12= 1.05D-13 8.33D-09 XBig12= 7.87D-13 9.92D-08.
      2 vectors produced by pass 10 Test12= 1.05D-13 8.33D-09 XBig12= 1.27D-14 1.28D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension   112 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.912320D+02
      2  0.830242D+00  0.754633D+02
      3 -0.101974D+01  0.234720D+01  0.631210D+02
 Isotropic polarizability for W=    0.088559       76.61 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.958457D+02 -0.168515D+02  0.152735D+02
      2  -0.565789D+02  0.128472D+02 -0.145238D+02
      3  -0.392668D+02  0.400434D+01 -0.749713D+00
      4  -0.184764D+02  0.112476D+02 -0.178723D+02
      5   0.181256D+02 -0.187339D+02  0.484122D+02
      6  -0.576976D+01 -0.665094D+01  0.339929D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.286080D+01 -0.409996D+00 -0.158699D+01
      2   0.740009D+01 -0.672541D+01  0.271109D+02
      3   0.803365D+01 -0.145743D+02  0.514524D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.861549D+00  0.787289D+01  0.605047D+00
      2  -0.285210D+01 -0.121026D+02  0.876790D+02
      3  -0.162485D+01 -0.678265D+02  0.129641D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.100547D+01 -0.111992D+01 -0.173914D+01
      2  -0.111992D+01  0.977380D+00 -0.652592D+00
      3  -0.173914D+01 -0.652592D+00  0.130872D+01
 OR G Eigenvalues:    -2.4298     1.4674     2.2430  Iso=    -0.4269
 Eigenvectors:
   (1)   0.822236   0.355408   0.444538
   (2)  -0.339360   0.933178  -0.118380
   (3)  -0.456906  -0.053522   0.887903
 w=    0.088559 a.u., Optical Rotation Beta=     -0.4269 au.
 Molar Mass =    121.1538 grams/mole, [Alpha] ( 5145.0 A) =     -178.67 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   26106 ScalPx= 9.12D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   26106 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 6.35D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.74D-14 2.78D-09 XBig12= 1.00D+00 3.41D-01.
     30 vectors produced by pass  1 Test12= 1.74D-14 2.78D-09 XBig12= 1.97D-02 2.72D-02.
     30 vectors produced by pass  2 Test12= 1.74D-14 2.78D-09 XBig12= 9.96D-04 4.51D-03.
     30 vectors produced by pass  3 Test12= 1.74D-14 2.78D-09 XBig12= 1.18D-05 4.75D-04.
     30 vectors produced by pass  4 Test12= 1.74D-14 2.78D-09 XBig12= 1.16D-07 4.58D-05.
     30 vectors produced by pass  5 Test12= 1.74D-14 2.78D-09 XBig12= 1.23D-09 3.96D-06.
     30 vectors produced by pass  6 Test12= 1.74D-14 2.78D-09 XBig12= 1.06D-11 3.54D-07.
     30 vectors produced by pass  7 Test12= 1.74D-14 2.78D-09 XBig12= 8.98D-14 3.05D-08.
      1 vectors produced by pass  8 Test12= 1.74D-14 2.78D-09 XBig12= 7.32D-16 2.83D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   26106 ScalPx= 7.08D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   26106 ScalPx= 7.08D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   26106 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.79D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.912320D+02  0.830242D+00 -0.101974D+01
      2   0.830242D+00  0.754633D+02  0.234720D+01
      3  -0.101974D+01  0.234720D+01  0.631210D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.286080D+01 -0.409996D+00 -0.158699D+01
      2   0.740009D+01 -0.672541D+01  0.271109D+02
      3   0.803365D+01 -0.145743D+02  0.514524D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.958457D+02 -0.168515D+02  0.152735D+02
      2  -0.565789D+02  0.128472D+02 -0.145238D+02
      3  -0.392668D+02  0.400434D+01 -0.749713D+00
      4  -0.184764D+02  0.112476D+02 -0.178723D+02
      5   0.181256D+02 -0.187339D+02  0.484122D+02
      6  -0.576976D+01 -0.665094D+01  0.339929D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.115369D+02 -0.191588D+01  0.175373D+01 -0.368048D+01  0.209575D+01
      2  -0.191588D+01 -0.225590D+00 -0.506402D+00  0.209575D+01  0.355343D+01
      3   0.175373D+01 -0.506402D+00 -0.102216D+00  0.228408D+00  0.123077D+00
                 6             7             8             9            10 
      1   0.228408D+00  0.331587D+01  0.590135D+00  0.112897D+01  0.129302D+02
      2   0.123077D+00  0.590135D+00  0.131290D+01 -0.844460D+00  0.240707D+01
      3  -0.183416D+01  0.112897D+01 -0.844460D+00 -0.434862D+01 -0.428200D+01
                11            12            13            14            15 
      1   0.240707D+01 -0.428200D+01  0.417784D+01  0.265243D+01  0.645841D+00
      2   0.182753D+01  0.648098D+00  0.265243D+01  0.253828D+00 -0.102410D+01
      3   0.648098D+00 -0.464768D+00  0.645841D+00 -0.102410D+01  0.210651D+01
                16            17            18            19            20 
      1  -0.692221D+01  0.873632D+00  0.877274D+00  0.324857D+01  0.159750D+01
      2   0.873632D+00 -0.201234D+01  0.182735D+01  0.159750D+01 -0.745512D+00
      3   0.877274D+00  0.182735D+01 -0.675842D+01 -0.108587D+01 -0.737905D-01
                21            22            23            24            25 
      1  -0.108587D+01  0.398037D+01 -0.292135D+00  0.539489D+00 -0.304676D+01
      2  -0.737905D-01 -0.292135D+00 -0.207744D+01  0.488334D+00 -0.278422D+00
      3  -0.868228D+00  0.539489D+00  0.488334D+00  0.179320D+01 -0.110572D+01
                26            27            28            29            30 
      1  -0.278422D+00 -0.110572D+01 -0.487007D+01  0.219666D+00 -0.205727D+00
      2  -0.518062D-01  0.240354D+01  0.219666D+00 -0.110686D+01  0.293474D-01
      3   0.240354D+01  0.502816D+01 -0.205727D+00  0.293474D-01  0.107311D+01
                31            32            33            34            35 
      1  -0.107334D+01 -0.385129D+00 -0.726883D+00 -0.262466D+00 -0.563316D+00
      2  -0.385129D+00  0.283961D+01  0.127511D+01 -0.563316D+00  0.272710D+01
      3  -0.726883D+00  0.127511D+01 -0.167294D+01  0.109226D+01 -0.176344D+01
                36            37            38            39            40 
      1   0.109226D+01 -0.248196D+01 -0.606953D+00  0.700285D+00  0.147225D+00
      2  -0.176344D+01 -0.606953D+00  0.133437D+01  0.126438D+01  0.286069D+01
      3   0.201692D+01  0.700285D+00  0.126438D+01  0.102132D+00  0.117213D+01
                41            42            43            44            45 
      1   0.286069D+01  0.117213D+01  0.176813D+01  0.180575D+01  0.368421D+00
      2   0.480435D+01  0.964921D+00  0.180575D+01  0.121395D+01 -0.191575D+00
      3   0.964921D+00  0.180845D+00  0.368421D+00 -0.191575D+00 -0.604875D+00
                46            47            48            49            50 
      1  -0.391767D+01 -0.383233D+01 -0.138221D+01 -0.497552D+01 -0.386442D+01
      2  -0.383233D+01 -0.292198D+01 -0.982251D+00 -0.386442D+01 -0.112817D+02
      3  -0.138221D+01 -0.982251D+00 -0.866252D+00 -0.680511D+00 -0.190712D+01
                51            52            53            54            55 
      1  -0.680511D+00 -0.160178D+01 -0.829879D+00 -0.187479D+01 -0.659574D+01
      2  -0.190712D+01 -0.829879D+00 -0.141384D+01 -0.299373D+01  0.124231D+01
      3  -0.241894D+01 -0.187479D+01 -0.299373D+01 -0.224046D+01  0.221060D+01
                56            57            58            59            60 
      1   0.124231D+01  0.221060D+01 -0.179687D+01 -0.371691D+01  0.425710D+00
      2  -0.260556D+01 -0.421619D+00 -0.371691D+01 -0.355305D+00  0.540513D+00
      3  -0.421619D+00 -0.137154D+01  0.425710D+00  0.540513D+00  0.107217D+00
                61            62            63            64            65 
      1   0.145548D+01 -0.892894D+00 -0.177443D+01  0.573626D+00 -0.662597D+00
      2  -0.892894D+00  0.630548D-01  0.118961D+01 -0.662597D+00  0.322233D+00
      3  -0.177443D+01  0.118961D+01  0.265939D+01 -0.759372D+00  0.732365D-02
                66            67            68            69            70 
      1  -0.759372D+00 -0.118879D+01  0.316390D+00 -0.114810D-01 -0.144085D+01
      2   0.732365D-02  0.316390D+00 -0.825522D+00 -0.134116D+01  0.116657D+00
      3   0.795303D+00 -0.114810D-01 -0.134116D+01 -0.154017D+01  0.138767D+00
                71            72            73            74            75 
      1   0.116657D+00  0.138767D+00  0.317666D+00  0.301068D+00  0.676383D+00
      2  -0.195186D+01 -0.148529D+01  0.301068D+00 -0.462534D-01  0.114651D+00
      3  -0.148529D+01 -0.722634D+01  0.676383D+00  0.114651D+00 -0.791135D+00
                76            77            78            79            80 
      1   0.155982D+01 -0.533817D+00 -0.753690D-01  0.246107D+01 -0.847907D-01
      2  -0.533817D+00  0.732983D-01  0.783738D+00 -0.847907D-01  0.931034D+00
      3  -0.753690D-01  0.783738D+00  0.137295D+01 -0.130553D+01 -0.176986D+00
                81            82            83            84            85 
      1  -0.130553D+01 -0.543782D+00 -0.666401D+00 -0.221089D+00 -0.264970D+01
      2  -0.176986D+00 -0.666401D+00 -0.481327D+00  0.258025D+00 -0.156627D+01
      3   0.679792D+01 -0.221089D+00  0.258025D+00 -0.173831D+00  0.202599D+00
                86            87            88            89            90 
      1  -0.156627D+01  0.202599D+00 -0.139809D+01 -0.231370D-01 -0.421664D+00
      2  -0.657859D+01  0.625626D+00 -0.231370D-01 -0.438403D+00 -0.780247D+00
      3   0.625626D+00 -0.815223D+00 -0.421664D+00 -0.780247D+00  0.332496D+00
                91            92            93            94            95 
      1   0.238511D+01  0.174789D+01 -0.806761D+00  0.425256D+01  0.441137D+00
      2   0.174789D+01  0.105274D+01 -0.898679D-01  0.441137D+00  0.411305D+01
      3  -0.806761D+00 -0.898679D-01  0.151538D+00 -0.108573D+01  0.837393D+00
                96            97            98            99           100 
      1  -0.108573D+01  0.314934D-01 -0.237962D+00 -0.442219D+00  0.621004D+01
      2   0.837393D+00 -0.237962D+00  0.899045D+00  0.776795D+00  0.497859D+00
      3   0.139247D+01 -0.442219D+00  0.776795D+00  0.137016D+01  0.931788D+00
               101           102           103           104           105 
      1   0.497859D+00  0.931788D+00  0.140924D+01  0.164393D+01 -0.333301D-01
      2   0.343711D+01 -0.965040D-01  0.164393D+01  0.203320D+01  0.940615D-01
      3  -0.965040D-01  0.846533D+00 -0.333301D-01  0.940615D-01  0.738820D+00
               106           107           108           109           110 
      1   0.201455D+01 -0.151427D-01  0.159261D+00 -0.717162D+00  0.723741D+00
      2  -0.151427D-01  0.788089D+00  0.658154D+00  0.723741D+00 -0.850684D+00
      3   0.159261D+00  0.658154D+00  0.420432D+00 -0.453515D+00  0.391798D+00
               111           112           113           114           115 
      1  -0.453515D+00  0.878678D+00 -0.562986D+00  0.291079D+00 -0.114294D+01
      2   0.391798D+00 -0.562986D+00  0.386537D+01 -0.216971D+01  0.801780D+00
      3  -0.133832D+01  0.291079D+00 -0.216971D+01  0.247000D+01 -0.100550D+01
               116           117           118           119           120 
      1   0.801780D+00 -0.100550D+01  0.499814D+01 -0.105295D+01  0.292376D+01
      2  -0.363628D+01  0.314188D+01 -0.105295D+01  0.100978D+01 -0.543186D+00
      3   0.314188D+01 -0.372544D+01  0.292376D+01 -0.543186D+00  0.300768D+01
               121           122           123           124           125 
      1  -0.104104D+01  0.911349D+00 -0.891951D+00  0.476852D+01 -0.126241D+01
      2   0.911349D+00 -0.417569D+00  0.709314D+00 -0.126241D+01  0.156936D+01
      3  -0.891951D+00  0.709314D+00 -0.188057D+01  0.416490D+01 -0.176160D+01
               126 
      1   0.416490D+01
      2  -0.176160D+01
      3   0.627866D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.102676D+01 -0.565014D+00 -0.489261D+00  0.242231D+01  0.372191D+01
      2   0.495112D+01 -0.104339D+01 -0.157667D+00  0.651975D+00 -0.169289D+01
      3   0.633560D+01  0.388137D+01 -0.132559D+00  0.975170D+01 -0.449676D+01
                 6             7             8             9            10 
      1  -0.448927D+01  0.250140D+01  0.184843D+01 -0.394727D+01 -0.456401D+00
      2  -0.155267D+01 -0.936494D+01 -0.167942D+01 -0.282338D+01 -0.147794D+02
      3  -0.100494D+01 -0.238869D+01 -0.599801D+00 -0.452760D+00 -0.130942D+02
                11            12            13            14            15 
      1   0.107174D+01  0.973738D+00 -0.146632D+00  0.133288D+01 -0.826820D+01
      2   0.112387D+01  0.281350D+01  0.279287D+00 -0.215063D+01  0.574035D+01
      3  -0.816473D+01  0.496693D-01  0.119953D+02 -0.315785D+01  0.272029D+01
                16            17            18            19            20 
      1   0.303823D-02  0.767804D+01 -0.265099D+01 -0.142288D+01 -0.229577D-01
      2  -0.145326D+02  0.587161D+01 -0.200375D+02  0.609305D+01  0.605899D+00
      3   0.482332D+00  0.590209D+01 -0.554879D+01  0.304104D+01 -0.676550D+01
                21            22            23            24            25 
      1  -0.765861D-01 -0.313018D+01  0.116016D+01  0.120385D+01 -0.558105D+00
      2   0.455241D+01  0.145189D+01 -0.968604D-01  0.141455D+01 -0.546404D+01
      3   0.819270D+00 -0.592577D-01 -0.167338D+01  0.258827D+01  0.962404D+00
                26            27            28            29            30 
      1   0.344112D+01 -0.261191D+00  0.158795D+01  0.477448D+00 -0.140631D+01
      2  -0.139092D+01 -0.323536D+01 -0.332494D-01 -0.229145D-01  0.334026D+01
      3   0.168478D+01  0.679047D+00 -0.160746D+02 -0.516540D+01 -0.239279D+01
                31            32            33            34            35 
      1   0.170228D+01 -0.602105D+01 -0.174169D+01 -0.241186D+01  0.847089D+01
      2   0.476362D+00 -0.692406D+00 -0.473859D+00 -0.354550D+01  0.197279D+00
      3   0.175485D+01  0.173949D+01 -0.106465D+01 -0.323121D+01  0.124008D+01
                36            37            38            39            40 
      1  -0.566634D+01 -0.660804D+00  0.146767D+01  0.252192D+01  0.207603D+01
      2  -0.123441D+01 -0.955326D+01 -0.485361D+00 -0.455079D+01  0.436048D+01
      3   0.174221D+01 -0.875769D+01  0.234414D+01  0.560386D+00  0.554547D+01
                41            42            43            44            45 
      1  -0.608256D+01  0.559184D+01 -0.119905D+00  0.621352D+01  0.643715D+01
      2  -0.101804D+01 -0.413030D+01 -0.158137D+02 -0.148683D+01  0.554488D+01
      3   0.130320D+02 -0.540014D+00 -0.281082D+01 -0.219070D+01  0.730328D+00
                46            47            48            49            50 
      1   0.277260D+00  0.961364D+00 -0.385557D+01  0.381200D+00  0.286993D+01
      2   0.208469D+01  0.100153D+01  0.618530D+01 -0.475961D+01  0.252851D+01
      3  -0.369471D+00 -0.776621D+01 -0.158580D+01  0.507826D+01 -0.216683D+02
                51            52            53            54            55 
      1  -0.952685D+01 -0.645325D-01  0.189126D+01 -0.252020D+01 -0.213341D+01
      2   0.675697D+01  0.282997D+01  0.566878D+01  0.306403D+01  0.214739D+01
      3  -0.286722D+01  0.430216D+00 -0.177738D+01 -0.575275D+01 -0.536413D+01
                56            57            58            59            60 
      1  -0.457581D+01  0.235952D+01 -0.452668D+01 -0.213137D+01 -0.263041D+01
      2   0.283442D+01  0.789853D+01  0.774368D+00  0.618778D+00 -0.147116D+00
      3  -0.151372D+02 -0.644138D-01 -0.119059D+02 -0.588642D+01  0.279260D+01
                61            62            63            64            65 
      1   0.994307D+00  0.295441D+01 -0.185080D+01  0.285709D+00 -0.589494D+00
      2   0.466986D+01 -0.176442D+01 -0.755328D+01  0.128917D+01 -0.319519D+00
      3   0.155863D+01  0.208427D+01  0.231120D+01  0.826970D-02  0.340962D+00
                66            67            68            69            70 
      1   0.927624D-01  0.343982D+00  0.900997D+00 -0.442827D+00  0.237593D+00
      2  -0.594016D-02 -0.100039D+01  0.885036D+00  0.242091D+00 -0.330784D+01
      3  -0.499046D+00  0.240885D+01 -0.148244D+00 -0.664765D+00  0.987537D+00
                71            72            73            74            75 
      1   0.325826D+01 -0.664774D+00  0.130593D+01 -0.983585D+00 -0.629398D+00
      2   0.526123D+00  0.210797D+01  0.179245D+01  0.254066D+00  0.775222D+00
      3  -0.420572D+00 -0.459290D+00  0.340787D+00 -0.232011D+01 -0.740551D+00
                76            77            78            79            80 
      1  -0.910124D+00  0.686610D+00  0.765112D+00 -0.120471D+01  0.250264D+01
      2  -0.113146D+01  0.954638D+00  0.104576D+01 -0.457356D+01  0.229267D+00
      3  -0.150525D+00 -0.164053D+00 -0.455460D+00 -0.211090D+01 -0.111762D+00
                81            82            83            84            85 
      1   0.496104D+01 -0.114419D+01 -0.523721D+00 -0.766451D+00 -0.131328D+01
      2   0.453117D+01  0.497108D+00  0.616460D+00  0.128860D+01  0.146798D+01
      3   0.179216D+01  0.309152D+01 -0.122429D+01  0.536745D-01  0.525509D+01
                86            87            88            89            90 
      1  -0.336669D+01 -0.212331D+01 -0.967118D+00 -0.195131D+00  0.148062D+00
      2   0.152929D+01 -0.387840D+00 -0.564749D+00 -0.279857D+00 -0.118917D+00
      3   0.514750D+01  0.716407D-01  0.149101D+01  0.645372D+00  0.121395D+01
                91            92            93            94            95 
      1   0.328873D+01  0.386308D+01  0.147568D+00  0.449713D+01  0.362599D+01
      2  -0.275750D+01 -0.218055D+01 -0.180412D+01 -0.946355D+00 -0.336290D+01
      3   0.870749D+01  0.922131D+01 -0.117774D+01  0.118198D+02  0.138420D+02
                96            97            98            99           100 
      1  -0.181020D+01  0.307883D+00  0.970534D+00 -0.129236D+01 -0.259834D+01
      2  -0.296860D+01 -0.180166D+01 -0.212010D+01 -0.758199D+00 -0.445695D+00
      3  -0.206689D+00 -0.104279D+01  0.414267D+00  0.737601D+00  0.209851D+02
               101           102           103           104           105 
      1  -0.544301D+00 -0.284851D+01 -0.252719D+00 -0.877229D+00 -0.126804D+01
      2   0.534830D+00  0.557151D+00  0.634322D-01  0.384684D+00  0.117356D+01
      3  -0.248761D+01  0.281422D+01  0.282067D+01  0.192320D+01 -0.433528D+00
               106           107           108           109           110 
      1  -0.373332D+00 -0.306666D+00 -0.957961D+00  0.279538D+00 -0.977960D+00
      2  -0.175667D+01  0.121968D+01  0.310917D+00  0.274973D-01 -0.366890D+00
      3   0.597116D+01 -0.673943D+00 -0.431989D+00 -0.113568D+01  0.398163D+00
               111           112           113           114           115 
      1   0.308462D+01 -0.359418D+00  0.343694D+01 -0.553194D+01  0.151186D+01
      2   0.645532D+00  0.442691D+00  0.386729D+00 -0.665504D+00 -0.159261D+01
      3   0.266988D+00  0.292148D+01  0.520569D+00 -0.381087D+00 -0.257294D+01
               116           117           118           119           120 
      1  -0.413950D+01  0.753621D+01  0.364139D+00  0.941540D+00  0.891946D+00
      2  -0.673502D+00  0.125563D+01  0.817648D+01 -0.137836D+01  0.100238D+02
      3   0.147936D+00 -0.704321D+00  0.187116D+01 -0.488670D+01  0.856166D+00
               121           122           123           124           125 
      1  -0.273782D+00 -0.430630D+00 -0.128986D+01  0.558254D+00  0.314406D+01
      2  -0.213065D+01  0.172606D+01 -0.604741D+01  0.920202D+01 -0.473299D+01
      3  -0.161984D+01  0.140552D+01 -0.106302D+01  0.227407D+01 -0.634464D+01
               126 
      1   0.190194D+01
      2   0.194550D+02
      3   0.414340D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.482332D+02 -0.334104D+01  0.297137D+01 -0.727241D+01  0.136008D+02
      2   0.243766D+02  0.148703D+01 -0.204211D+01  0.204402D+01 -0.135590D+02
      3   0.238566D+02  0.185401D+01 -0.929257D+00  0.522839D+01 -0.417111D-01
      4   0.100827D+01 -0.913908D+01 -0.249136D+01  0.111913D+02  0.227373D+01
      5   0.555879D+01 -0.209851D+01 -0.694349D+01  0.201890D+01  0.185232D+00
      6  -0.244044D+01  0.105450D+01 -0.471413D+00  0.113633D+01  0.199142D+00
                 6             7             8             9            10 
      1   0.545675D+01  0.548225D+01  0.443336D+01  0.822001D+01  0.790965D+02
      2  -0.389146D+00 -0.554161D+01 -0.132813D+01  0.246318D+01 -0.369351D+02
      3  -0.506760D+01  0.593523D-01 -0.310523D+01 -0.106832D+02 -0.421614D+02
      4  -0.717930D+00  0.467377D+00  0.270102D+01 -0.206983D+01  0.454608D+01
      5  -0.317391D+01  0.375093D+01 -0.261957D+00 -0.334316D+01 -0.258342D+02
      6   0.417817D+01 -0.964763D+00  0.245033D+01  0.486947D+00  0.415871D+01
                11            12            13            14            15 
      1   0.107520D+02 -0.231048D+02  0.193545D+02 -0.237830D+01 -0.100796D+01
      2  -0.825123D+01  0.120849D+02 -0.154504D+02  0.183010D+02  0.781358D+00
      3  -0.250080D+01  0.110200D+02 -0.390405D+01 -0.159227D+02  0.226605D+00
      4   0.237384D+02  0.496259D+01  0.285723D+02 -0.386201D+01 -0.511239D+01
      5   0.461896D+01  0.615883D+01  0.477632D+01 -0.446445D+01  0.116059D+02
      6  -0.206181D+00  0.141428D+01 -0.641478D+00  0.466843D+01  0.117123D+02
                16            17            18            19            20 
      1  -0.286237D+02 -0.382011D+00 -0.795197D+01  0.126803D+01 -0.184152D+01
      2   0.183501D+02 -0.127774D+01 -0.441884D+01  0.126622D+01 -0.652478D+00
      3   0.102736D+02  0.165976D+01  0.123708D+02 -0.253425D+01  0.249400D+01
      4   0.827134D+01 -0.935033D+01  0.967208D+01 -0.188488D+01  0.563062D+01
      5   0.119183D+02  0.102128D+02 -0.392125D+02  0.280678D+01  0.143440D+01
      6   0.998503D+00  0.138638D+02  0.881767D+01 -0.759359D+00 -0.211633D+01
                21            22            23            24            25 
      1   0.718973D+00  0.230848D+01  0.446336D+01  0.362718D+01 -0.551867D+01
      2  -0.151938D+01 -0.190950D+01 -0.501496D+01  0.260779D+01  0.141582D+01
      3   0.800407D+00 -0.398979D+00  0.551602D+00 -0.623497D+01  0.410285D+01
      4   0.218275D+01 -0.704706D+01  0.584183D+01  0.166331D+01  0.377772D+01
      5   0.394832D+01  0.130959D+01  0.140384D+01  0.170667D+01 -0.716296D+00
      6   0.572124D-01  0.238172D+01 -0.348291D+00 -0.776362D+01  0.894505D+00
                26            27            28            29            30 
      1   0.418134D+01  0.457024D+01  0.532522D+01  0.275621D+01 -0.214601D+01
      2   0.176802D+01  0.973151D+01 -0.516851D+01 -0.485476D+01  0.162093D+01
      3  -0.594936D+01 -0.143017D+02 -0.156709D+00  0.209854D+01  0.525080D+00
      4  -0.370639D+01 -0.355336D+00 -0.738222D+01 -0.201806D+01 -0.617543D+00
      5  -0.130947D+01 -0.804157D+00 -0.194639D+01  0.492944D+00  0.530909D+01
      6   0.183607D+01 -0.276831D+01 -0.170328D+01 -0.529826D+00  0.409795D+01
                31            32            33            34            35 
      1  -0.122670D+01 -0.123791D+02 -0.629992D+01  0.584122D+00 -0.793626D+01
      2  -0.136727D+01  0.214619D+02  0.560863D+01  0.419294D+00  0.830861D+01
      3   0.259397D+01 -0.908275D+01  0.691291D+00 -0.100342D+01 -0.372346D+00
      4   0.279256D+01 -0.560677D+01 -0.336814D+01 -0.961449D+00 -0.273213D+01
      5   0.104823D+01 -0.199776D+01  0.312810D+00  0.297295D+01  0.968871D+00
      6  -0.516578D+01  0.933706D+01  0.188261D+00  0.466157D+01 -0.667762D+01
                36            37            38            39            40 
      1   0.403295D+01 -0.353528D+01  0.953446D+01  0.369296D+00 -0.671383D+01
      2  -0.774329D+01 -0.944185D+00 -0.108304D+02 -0.464188D+01  0.807882D+00
      3   0.371033D+01  0.447946D+01  0.129599D+01  0.427258D+01  0.590595D+01
      4   0.296961D+01 -0.165163D+01 -0.167552D+02 -0.637238D+01 -0.255702D+02
      5  -0.300743D+01 -0.167986D+01 -0.783929D+01 -0.933603D+01 -0.130046D+02
      6   0.118732D+02 -0.863641D+00 -0.483751D+00 -0.284645D+01 -0.850023D+00
                41            42            43            44            45 
      1   0.295846D+00 -0.108324D+00  0.304495D+01 -0.575180D+01 -0.408511D+01
      2  -0.133517D+02  0.590631D+01 -0.361282D+01 -0.983572D+00 -0.176600D+01
      3   0.130558D+02 -0.579799D+01  0.567871D+00  0.673537D+01  0.585111D+01
      4  -0.264581D+02 -0.463724D+01 -0.148984D+02  0.130729D+01 -0.208974D+01
      5  -0.565015D+01 -0.749434D+01 -0.269921D+01 -0.155533D+01  0.518058D+01
      6  -0.493686D+01 -0.925956D+01 -0.155282D+01  0.320926D+01 -0.557139D+01
                46            47            48            49            50 
      1   0.222257D+02  0.956217D+01  0.300557D+01  0.125845D+02 -0.122901D+02
      2  -0.698696D+01  0.186173D+01 -0.213543D+01  0.997106D+00  0.344840D+02
      3  -0.152387D+02 -0.114239D+02 -0.870146D+00 -0.135816D+02 -0.221939D+02
      4   0.253887D+02  0.268012D+02  0.646559D+01  0.323708D+02  0.537728D+02
      5   0.895114D+01  0.698615D+01  0.122266D+02  0.645709D+01  0.106674D+02
      6   0.260310D+01  0.222982D+01  0.547126D+01  0.378065D+01  0.641930D+01
                51            52            53            54            55 
      1  -0.327503D+01  0.355279D+01 -0.137664D+01 -0.176767D+01  0.423165D+02
      2   0.112977D+01 -0.171088D+01  0.129203D+01 -0.564964D+00 -0.256166D+02
      3   0.214527D+01 -0.184191D+01  0.846183D-01  0.233264D+01 -0.166999D+02
      4   0.885216D+01  0.645787D+01  0.604471D+01  0.143647D+02 -0.178980D+02
      5   0.145446D+02  0.143582D+02  0.144652D+02  0.107628D+02 -0.137110D+02
      6   0.145685D+02  0.638659D+01  0.124990D+02  0.669244D+01  0.221459D+01
                56            57            58            59            60 
      1  -0.606332D+01 -0.693027D+01  0.643106D+01  0.111281D+02 -0.286438D+01
      2   0.103173D+01  0.888770D+01 -0.714966D+01 -0.295301D+01  0.293690D+00
      3   0.503158D+01 -0.195743D+01  0.718596D+00 -0.817508D+01  0.257069D+01
      4   0.196345D+02  0.497889D+01  0.200063D+02 -0.644085D+01 -0.255663D+01
      5   0.431419D+01  0.170086D+02  0.826483D+00 -0.416283D+01 -0.134033D+01
      6  -0.128621D+01 -0.368316D+01 -0.685776D+00  0.169480D+01  0.735494D+01
                61            62            63            64            65 
      1  -0.357862D+01  0.215734D+01  0.316443D+01  0.256805D+00  0.151590D+00
      2   0.460249D+01 -0.166982D+01 -0.112801D+02 -0.343507D+01  0.659305D+00
      3  -0.102386D+01 -0.487525D+00  0.811562D+01  0.317826D+01 -0.810894D+00
      4   0.722385D+01 -0.497641D+01 -0.678832D+01 -0.404780D+00  0.739113D+00
      5   0.164034D+02 -0.628428D+01 -0.171549D+02 -0.737571D+00  0.941646D+00
      6  -0.193814D+01  0.522163D+01  0.334257D+01  0.105929D+01 -0.365618D+00
                66            67            68            69            70 
      1   0.123522D+01  0.141841D+00 -0.452054D+01 -0.355306D+01  0.139373D+01
      2   0.728222D+00  0.860596D+00  0.255727D+00 -0.183433D+01  0.764010D+00
      3  -0.196345D+01 -0.100244D+01  0.426481D+01  0.538739D+01 -0.215774D+01
      4   0.447279D+00  0.264190D+01 -0.790957D+00 -0.885805D-01  0.926804D+00
      5   0.430860D+01  0.113028D+01 -0.199873D+00 -0.454989D+00  0.433091D+01
      6  -0.164421D+00 -0.701770D+00  0.367323D+01  0.733061D+01 -0.762075D+00
                71            72            73            74            75 
      1  -0.228330D+01 -0.179004D+02  0.392784D+01  0.232329D-01  0.258305D+01
      2  -0.378537D+01 -0.134817D+02 -0.455244D+01  0.158284D+00  0.869644D+00
      3   0.606867D+01  0.313821D+02  0.624603D+00 -0.181517D+00 -0.345270D+01
      4   0.881113D+00  0.152800D+00 -0.613267D+00  0.227549D+01 -0.171694D+00
      5   0.353972D+00  0.619770D+00 -0.190511D+01  0.634601D+00  0.562104D+01
      6   0.508576D+01  0.506390D+01  0.570655D+00 -0.587931D+00  0.365041D+00
                76            77            78            79            80 
      1   0.426698D+01 -0.406860D+01 -0.242609D+01  0.871443D+01  0.867230D+00
      2  -0.134458D+01  0.144226D+01 -0.167189D+01 -0.959914D+00 -0.126144D+01
      3  -0.292240D+01  0.262634D+01  0.409797D+01 -0.775451D+01  0.394209D+00
      4  -0.440519D+00  0.704139D+00  0.987813D+00 -0.184153D+01  0.485416D+00
      5   0.544825D+00  0.485185D+00  0.131259D+01  0.248338D+01 -0.685303D+00
      6  -0.687079D+00  0.400867D+00  0.358570D+01  0.105677D+01  0.372074D+01
                81            82            83            84            85 
      1  -0.214275D+02  0.100781D+01 -0.233201D+01  0.280550D+00 -0.975906D+01
      2  -0.808350D+01  0.202870D+01  0.301726D+01 -0.763982D-02  0.883722D+01
      3   0.295110D+02 -0.303650D+01 -0.685253D+00 -0.272910D+00  0.921845D+00
      4   0.829457D+00  0.158903D+01  0.592020D+01  0.468088D+00  0.245340D+01
      5   0.479216D+01 -0.206720D+00 -0.223657D+00  0.200992D+01 -0.788384D+00
      6  -0.433623D+01  0.335476D+00 -0.962158D+00  0.431265D+00 -0.157969D+01
                86            87            88            89            90 
      1  -0.211390D+02  0.296560D+01 -0.261430D+01 -0.384762D+00 -0.435288D+01
      2   0.283233D+02 -0.197428D+01  0.228726D+01  0.103572D+01  0.232908D+01
      3  -0.718424D+01 -0.991319D+00  0.327041D+00 -0.650961D+00  0.202380D+01
      4  -0.448251D+01  0.546389D+00  0.678349D-01 -0.116976D+01 -0.314992D+00
      5  -0.287293D+00 -0.393734D+00  0.627075D+00 -0.677859D+00 -0.305751D+00
      6  -0.537598D+01  0.417921D+01  0.141067D+01  0.431376D+01 -0.765440D+00
                91            92            93            94            95 
      1  -0.131302D+02 -0.512028D+01  0.204235D+01 -0.143610D+02 -0.823060D+01
      2   0.104364D+02  0.178373D+01 -0.305467D+01  0.815099D+01  0.919419D+01
      3   0.269379D+01  0.333655D+01  0.101233D+01  0.620997D+01 -0.963588D+00
      4  -0.229718D+01 -0.249707D+01 -0.103478D+01  0.426703D+01 -0.148002D+02
      5   0.379139D+01  0.428900D-01 -0.385451D+01  0.472626D+01 -0.282182D+01
      6  -0.157406D+01 -0.606280D+00 -0.120781D+01 -0.277397D+01  0.414336D+01
                96            97            98            99           100 
      1   0.786401D+00  0.144875D+01 -0.250002D+01 -0.275577D+01  0.499150D+01
      2  -0.784455D+00 -0.106398D+01  0.202305D+01  0.702898D+00  0.102589D+01
      3  -0.194600D-02 -0.384776D+00  0.476966D+00  0.205287D+01 -0.601740D+01
      4  -0.462599D+01  0.423994D+00 -0.242217D+01 -0.247968D+01  0.112020D+02
      5  -0.598617D+01  0.196968D+01 -0.245902D+01 -0.239810D+01 -0.384118D+00
      6   0.323189D+01 -0.719984D+00  0.361716D+01  0.387899D+01  0.247864D+01
               101           102           103           104           105 
      1  -0.932124D+01  0.162710D+01 -0.338643D+01 -0.228701D+01 -0.471600D-01
      2   0.130666D+02  0.195863D+00  0.615802D+01  0.634328D+01  0.510824D+00
      3  -0.374531D+01 -0.182297D+01 -0.277159D+01 -0.405627D+01 -0.463664D+00
      4   0.842475D+01  0.171386D+01  0.825076D+01  0.722374D+01  0.870897D+00
      5  -0.208958D-01 -0.393266D-01 -0.745487D+00  0.333733D+00  0.161683D+01
      6  -0.613277D+00  0.448807D+01 -0.112927D+00 -0.201860D-01  0.270562D+01
               106           107           108           109           110 
      1  -0.134950D+00 -0.168443D+01 -0.159004D+01 -0.100124D+01  0.189651D+01
      2   0.418721D+00  0.197678D+01  0.749277D+00  0.139423D+01 -0.188884D+01
      3  -0.283772D+00 -0.292346D+00  0.840760D+00 -0.392985D+00 -0.766849D-02
      4   0.347122D+01  0.121076D+01  0.165836D+01 -0.225712D+01  0.452436D+01
      5   0.154788D+01  0.128562D+01  0.189026D+00  0.138243D+01 -0.233652D+01
      6   0.576171D+00  0.338440D+01  0.146672D+01 -0.274067D+01  0.333540D+01
               111           112           113           114           115 
      1  -0.137820D+01  0.155682D+01 -0.134786D+02  0.819044D+01 -0.265415D+01
      2   0.632375D+00 -0.192430D+01  0.158204D+02 -0.851816D+01  0.142503D+01
      3   0.745821D+00  0.367481D+00 -0.234181D+01  0.327718D+00  0.122912D+01
      4  -0.319767D+01  0.437008D+01 -0.257667D+01  0.174138D+01 -0.365167D+01
      5   0.342121D+01 -0.109827D+01  0.132718D+01 -0.973977D+00  0.329068D+01
      6  -0.554216D+01  0.200181D+01 -0.147315D+02  0.142492D+02 -0.465386D+01
               116           117           118           119           120 
      1   0.129296D+02 -0.131526D+02  0.271269D+02 -0.554981D+01  0.173662D+02
      2  -0.113128D+02  0.679921D+01 -0.177107D+02  0.285863D+01 -0.109387D+02
      3  -0.161681D+01  0.635342D+01 -0.941623D+01  0.269117D+01 -0.642750D+01
      4   0.327321D+01 -0.385656D+01 -0.851470D+01  0.818407D+01 -0.498641D+01
      5  -0.214960D+01  0.312807D+01  0.228948D+02 -0.459971D+01  0.232822D+02
      6   0.182255D+02 -0.189748D+02 -0.333902D+01  0.113783D+01 -0.240966D+01
               121           122           123           124           125 
      1  -0.447826D+01  0.974986D+00 -0.300924D+01  0.195832D+02 -0.383449D+01
      2   0.239686D+01 -0.129644D+00  0.146349D+01 -0.161137D+02  0.364989D+01
      3   0.208140D+01 -0.845342D+00  0.154576D+01 -0.346948D+01  0.184600D+00
      4   0.737320D+01 -0.396794D+01  0.542521D+01 -0.973495D+01  0.845366D+01
      5  -0.720123D+01  0.518157D+01 -0.112820D+02  0.309941D+02 -0.110735D+02
      6   0.287824D+01 -0.277621D+01  0.685977D+01 -0.456290D+01  0.471353D+01
               126 
      1   0.129157D+02
      2  -0.175175D+02
      3   0.460181D+01
      4  -0.116926D+02
      5   0.405338D+02
      6  -0.685904D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Aug 16 21:30:41 2021, MaxMem=  5637144576 cpu:            4661.2 elap:             584.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -88.25947 -18.98317 -18.92963 -14.19436 -10.19522
 Alpha  occ. eigenvalues --  -10.13330 -10.12030  -7.88405  -5.90701  -5.90263
 Alpha  occ. eigenvalues --   -5.89457  -1.21527  -1.13150  -1.04879  -0.93586
 Alpha  occ. eigenvalues --   -0.85512  -0.75863  -0.71821  -0.66384  -0.65261
 Alpha  occ. eigenvalues --   -0.61421  -0.57259  -0.56225  -0.54826  -0.53228
 Alpha  occ. eigenvalues --   -0.50188  -0.48406  -0.45444  -0.42998  -0.41628
 Alpha  occ. eigenvalues --   -0.37349  -0.36551
 Alpha virt. eigenvalues --    0.02122   0.03278   0.04423   0.04642   0.06063
 Alpha virt. eigenvalues --    0.06617   0.06677   0.07353   0.09137   0.09475
 Alpha virt. eigenvalues --    0.10528   0.11535   0.12663   0.12878   0.13708
 Alpha virt. eigenvalues --    0.13877   0.14711   0.14960   0.15244   0.16450
 Alpha virt. eigenvalues --    0.16701   0.17919   0.18134   0.18826   0.19263
 Alpha virt. eigenvalues --    0.19961   0.21015   0.21687   0.23896   0.24506
 Alpha virt. eigenvalues --    0.24813   0.25940   0.26703   0.27072   0.28470
 Alpha virt. eigenvalues --    0.29273   0.30348   0.30806   0.31786   0.32314
 Alpha virt. eigenvalues --    0.32890   0.34001   0.34211   0.34984   0.36374
 Alpha virt. eigenvalues --    0.38088   0.39298   0.40235   0.40429   0.41498
 Alpha virt. eigenvalues --    0.42924   0.43305   0.44102   0.45314   0.45804
 Alpha virt. eigenvalues --    0.46880   0.47773   0.48831   0.50012   0.50419
 Alpha virt. eigenvalues --    0.50669   0.51638   0.52530   0.53673   0.55552
 Alpha virt. eigenvalues --    0.56668   0.57289   0.58122   0.58716   0.60256
 Alpha virt. eigenvalues --    0.61160   0.61718   0.64296   0.64366   0.65616
 Alpha virt. eigenvalues --    0.66988   0.68316   0.68983   0.69478   0.70496
 Alpha virt. eigenvalues --    0.71965   0.74332   0.76022   0.76408   0.76905
 Alpha virt. eigenvalues --    0.77558   0.78926   0.80214   0.81458   0.82794
 Alpha virt. eigenvalues --    0.84598   0.86889   0.90201   0.90919   0.91717
 Alpha virt. eigenvalues --    0.92900   0.93600   0.97384   0.98853   0.99185
 Alpha virt. eigenvalues --    1.01328   1.02299   1.04969   1.06117   1.06478
 Alpha virt. eigenvalues --    1.07118   1.10227   1.11062   1.11799   1.13326
 Alpha virt. eigenvalues --    1.14406   1.16562   1.18744   1.18980   1.19828
 Alpha virt. eigenvalues --    1.22470   1.26547   1.26948   1.27692   1.30834
 Alpha virt. eigenvalues --    1.32067   1.33376   1.37217   1.39561   1.43203
 Alpha virt. eigenvalues --    1.47047   1.48950   1.51290   1.54197   1.54863
 Alpha virt. eigenvalues --    1.57843   1.61709   1.62871   1.65134   1.70094
 Alpha virt. eigenvalues --    1.70889   1.72391   1.73834   1.74450   1.75199
 Alpha virt. eigenvalues --    1.80375   1.83897   1.85169   1.86146   1.86707
 Alpha virt. eigenvalues --    1.88112   1.93303   1.95381   1.98070   1.99790
 Alpha virt. eigenvalues --    2.03701   2.05361   2.10114   2.10938   2.13130
 Alpha virt. eigenvalues --    2.15046   2.18136   2.19623   2.21729   2.22606
 Alpha virt. eigenvalues --    2.23838   2.25726   2.28632   2.32698   2.35029
 Alpha virt. eigenvalues --    2.35802   2.39399   2.44724   2.46404   2.47053
 Alpha virt. eigenvalues --    2.54605   2.56133   2.65194   2.67506   2.69634
 Alpha virt. eigenvalues --    2.74259   2.77482   2.84195   2.88388   2.90827
 Alpha virt. eigenvalues --    3.01968   3.05350   3.10078   3.25845   3.34788
 Alpha virt. eigenvalues --    3.43983   3.44715   3.46136   3.47922   3.50785
 Alpha virt. eigenvalues --    3.52316   3.53504   3.62508   3.77939   3.89022
 Alpha virt. eigenvalues --    4.03443
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.937052   0.191596   0.283030  -0.042015  -0.183151   0.038712
     2  S    0.191596  15.708586  -0.081478   0.005831  -0.033203   0.005854
     3  C    0.283030  -0.081478   6.386168   0.183402  -0.799461   0.046727
     4  N   -0.042015   0.005831   0.183402   6.432723   0.030928  -0.017495
     5  C   -0.183151  -0.033203  -0.799461   0.030928   6.684061   0.109988
     6  O    0.038712   0.005854   0.046727  -0.017495   0.109988   8.320539
     7  O    0.028428   0.002884   0.215436  -0.094868  -0.294865  -0.046338
     8  H    0.075996  -0.045243  -0.404250  -0.063601  -0.104947   0.025693
     9  H    0.272950  -0.108403  -0.032282  -0.028546  -0.105185   0.018122
    10  H    0.181098  -0.169161  -0.042981   0.017133   0.056053  -0.012443
    11  H   -0.000770  -0.002695  -0.182386   0.078703  -0.001976   0.008652
    12  H   -0.043700   0.008043  -0.156301   0.279306   0.011374   0.000775
    13  H   -0.029573   0.006872   0.152020   0.387411  -0.050940   0.002972
    14  H    0.000812   0.277171   0.021281  -0.000375  -0.001338   0.000379
               7          8          9         10         11         12
     1  C    0.028428   0.075996   0.272950   0.181098  -0.000770  -0.043700
     2  S    0.002884  -0.045243  -0.108403  -0.169161  -0.002695   0.008043
     3  C    0.215436  -0.404250  -0.032282  -0.042981  -0.182386  -0.156301
     4  N   -0.094868  -0.063601  -0.028546   0.017133   0.078703   0.279306
     5  C   -0.294865  -0.104947  -0.105185   0.056053  -0.001976   0.011374
     6  O   -0.046338   0.025693   0.018122  -0.012443   0.008652   0.000775
     7  O    8.368863   0.006883   0.027598  -0.007558   0.194231   0.005812
     8  H    0.006883   1.877447   0.106853  -0.067993   0.014699   0.050798
     9  H    0.027598   0.106853   1.501218  -0.301622  -0.005810  -0.012537
    10  H   -0.007558  -0.067993  -0.301622   1.628223   0.006298   0.018219
    11  H    0.194231   0.014699  -0.005810   0.006298   0.677705   0.008008
    12  H    0.005812   0.050798  -0.012537   0.018219   0.008008   0.960960
    13  H   -0.004824  -0.130745  -0.000900  -0.008980  -0.016026  -0.163531
    14  H    0.000613  -0.006753  -0.078507  -0.021256   0.000009  -0.005920
              13         14
     1  C   -0.029573   0.000812
     2  S    0.006872   0.277171
     3  C    0.152020   0.021281
     4  N    0.387411  -0.000375
     5  C   -0.050940  -0.001338
     6  O    0.002972   0.000379
     7  O   -0.004824   0.000613
     8  H   -0.130745  -0.006753
     9  H   -0.000900  -0.078507
    10  H   -0.008980  -0.021256
    11  H   -0.016026   0.000009
    12  H   -0.163531  -0.005920
    13  H    0.838811   0.001282
    14  H    0.001282   0.769638
 Mulliken charges:
               1
     1  C    0.289536
     2  S    0.233345
     3  C    0.411075
     4  N   -0.168535
     5  C    0.682662
     6  O   -0.502137
     7  O   -0.402296
     8  H   -0.334835
     9  H   -0.252947
    10  H   -0.275032
    11  H    0.221357
    12  H    0.038693
    13  H    0.016151
    14  H    0.042964
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.238443
     2  S    0.276310
     3  C    0.076240
     4  N   -0.113692
     5  C    0.682662
     6  O   -0.502137
     7  O   -0.180939
 Electronic spatial extent (au):  <R**2>=           1108.7489
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.2502    Y=              2.7754    Z=              0.3620  Tot=              4.2892
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -60.0688   YY=            -50.2457   ZZ=            -46.6726
   XY=             -5.6050   XZ=              4.2581   YZ=             -4.2139
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.7398   YY=              2.0833   ZZ=              5.6564
   XY=             -5.6050   XZ=              4.2581   YZ=             -4.2139
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             20.6089  YYY=             15.1160  ZZZ=              0.1785  XYY=              1.7356
  XXY=             10.0138  XXZ=              9.1035  XZZ=             -0.6263  YZZ=              3.1764
  YYZ=             -0.9073  XYZ=             -0.0649
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1069.1797 YYYY=           -278.1658 ZZZZ=           -107.7168 XXXY=            -23.2105
 XXXZ=             40.3800 YYYX=            -12.4022 YYYZ=            -14.3114 ZZZX=              6.8629
 ZZZY=             -4.5642 XXYY=           -239.3209 XXZZ=           -185.1954 YYZZ=            -62.4711
 XXYZ=            -12.8791 YYXZ=             -2.2664 ZZXY=             -5.0510
 N-N= 3.761338853749D+02 E-N=-2.455043832718D+03  KE= 7.182278038700D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Aug 16 21:30:41 2021, MaxMem=  5637144576 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.26382215D+00 1.11108557D+00 1.24443413D-01
 Polarizability= 8.42091625D+01 1.05342687D+00 6.66948161D+01
                -4.60358257D-01 9.06411348D-01 5.62830567D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.5101    0.5099        0.4148    0.4151
 2     -0.5101   -0.5099       -1.1741   -1.1736       -7.8841   -7.8844
 3     -0.4148   -0.4151       14.0542   14.0555        1.1725    1.1736
 4      1.1741    1.1736       -0.0000    0.0000       -0.4153   -0.4151
 5     -6.1700   -6.1711        0.4153    0.4151        0.5086    0.5099
 6     -1.1725   -1.1736       -0.5086   -0.5099        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.5296   -1.5296        1.2454    1.2454
 2      3.5208    3.5208        0.0000    0.0000        1.2454    1.2454
 3      3.5208    3.5208       -1.5296   -1.5296        0.0000    0.0000
 4     -1.5296   -1.5296       -3.5208   -3.5208      -23.6531  -23.6531
 5     -1.2454   -1.2454       42.1665   42.1665        3.5208    3.5208
 6    -18.5134  -18.5134        1.2454    1.2454        1.5296    1.5296
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0089    0.0000       -2.0113   -2.0395       -1.6383   -1.6605
 2      2.0744    2.0395        4.6847    4.6944       31.6050   31.5374
 3      1.6733    1.6605      -56.2205  -56.2220       -4.6818   -4.6944
 4     -4.6947   -4.6944        0.0068    0.0000        1.6634    1.6605
 5     24.6492   24.6846       -1.6528   -1.6605       -2.0633   -2.0395
 6      4.6895    4.6944        2.0324    2.0395        0.0004    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0190    0.0000        6.4650    6.4467       -7.0115   -6.9901
 2     -6.4020   -6.4467       12.5461   12.5366       19.2011   19.1724
 3      6.9555    6.9901        4.5435    4.5689      -12.5775  -12.5366
 4    -12.5736  -12.5366       -0.0055    0.0000        6.9524    6.9901
 5    -23.7097  -23.7413       -7.1035   -6.9901        6.4348    6.4467
 6     12.5895   12.5366       -6.4585   -6.4467        0.0676    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -17.3133  -17.3121       21.8631   21.8757       24.8104   24.7766
 2    -37.2335  -37.1646       20.8676   20.8559       24.7316   24.7766
 3    -37.2275  -37.1646       21.8843   21.8757       29.7694   29.7974
 4      1.0380    1.0198       19.8588   19.8524       22.5030   22.4820
 5      5.0355    5.0208       27.6063   27.6513      -19.8418  -19.8524
 6    -50.0953  -50.1333       -5.2236   -5.0208       -1.0454   -1.0198
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.3624   -1.6798    0.0017    0.0030    0.0039    2.5991
 Low frequencies ---   63.7493  106.0932  129.6830
 Diagonal vibrational polarizability:
       24.6136092      39.9488410      17.0381992
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     63.7472               106.0931               129.6827
 Red. masses --      3.2528                 2.9918                 1.4071
 Frc consts  --      0.0078                 0.0198                 0.0139
 IR Inten    --      0.2202                11.5580                 7.1076
 RamAct Fr= 1--      1.1866                 0.2149                 0.3681
  Dep-P Fr= 1--      0.7394                 0.6602                 0.7082
  Dep-U Fr= 1--      0.8502                 0.7953                 0.8292
 Alpha2 Fr= 1--      0.0002                 0.0003                 0.0003
 Beta2  Fr= 1--      0.1681                 0.0285                 0.0509
 AlphaG Fr= 1--      0.0021                -0.0007                 0.0027
 Gamma2 Fr= 1--      0.4646                 0.2359                 0.0839
 Delta2 Fr= 1--      0.2059                 0.1063                 0.1381
 Raman1 Fr= 1--       4.746                  0.860                  1.473
 ROA1   Fr= 1--      51.196                 26.050                 12.472
 CID1   Fr= 1--      10.786                 30.308                  8.470
 Raman2 Fr= 1--       2.018                  0.342                  0.610
 ROA2   Fr= 1--       9.504                  4.812                  0.909
 CID2   Fr= 1--       4.711                 14.079                  1.489
 Raman3 Fr= 1--       4.035                  0.684                  1.221
 ROA3   Fr= 1--      51.196                 26.050                 12.472
 CID3   Fr= 1--      12.687                 38.110                 10.215
 RC180  Fr= 1--       0.700                  0.591                  0.658
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.01    -0.01  -0.17  -0.18     0.00  -0.06  -0.10
     2  16     0.01   0.01   0.07    -0.01   0.13   0.08     0.03  -0.02   0.00
     3   6    -0.01  -0.04  -0.08    -0.02  -0.06  -0.08    -0.02   0.02  -0.02
     4   7     0.00  -0.04  -0.15     0.07  -0.07  -0.03     0.01  -0.00   0.07
     5   6    -0.00  -0.00  -0.02    -0.02  -0.00   0.01    -0.01   0.01   0.01
     6   8    -0.12   0.07  -0.14    -0.08  -0.00   0.09     0.01  -0.02   0.07
     7   8     0.14  -0.07   0.22     0.06   0.06   0.01    -0.04   0.03  -0.05
     8   1    -0.02  -0.12  -0.06    -0.10  -0.01  -0.11    -0.06   0.08  -0.04
     9   1    -0.06   0.07  -0.03    -0.12  -0.43  -0.12     0.00  -0.16  -0.07
    10   1     0.01   0.01   0.04     0.10  -0.16  -0.45     0.01  -0.05  -0.19
    11   1     0.16  -0.09   0.21     0.11   0.04  -0.06    -0.02   0.02  -0.03
    12   1     0.07  -0.02  -0.39     0.04  -0.13   0.11     0.04  -0.06   0.02
    13   1    -0.21  -0.07  -0.12     0.19  -0.03  -0.03    -0.01   0.05   0.10
    14   1    -0.13   0.63   0.31    -0.04  -0.55  -0.11    -0.14   0.86   0.34
                      4                      5                      6
                      A                      A                      A
 Frequencies --    176.1380               250.6238               324.8196
 Red. masses --      5.0203                 6.9625                 1.1121
 Frc consts  --      0.0918                 0.2577                 0.0691
 IR Inten    --     11.6287                 0.2546                24.8188
 RamAct Fr= 1--      0.6411                 1.9016                 0.3749
  Dep-P Fr= 1--      0.7243                 0.1668                 0.7418
  Dep-U Fr= 1--      0.8401                 0.2859                 0.8517
 Alpha2 Fr= 1--      0.0003                 0.0282                 0.0001
 Beta2  Fr= 1--      0.0898                 0.0906                 0.0532
 AlphaG Fr= 1--      0.0005                -0.0074                 0.0027
 Gamma2 Fr= 1--     -0.5108                 0.1759                -0.0993
 Delta2 Fr= 1--     -0.2108                 0.0144                 0.1612
 Raman1 Fr= 1--       2.564                  7.606                  1.500
 ROA1   Fr= 1--     -55.779                 17.346                 -4.375
 CID1   Fr= 1--     -21.753                  2.280                 -2.917
 Raman2 Fr= 1--       1.077                  1.087                  0.639
 ROA2   Fr= 1--     -10.571                  4.106                 -3.674
 CID2   Fr= 1--      -9.815                  3.776                 -5.752
 Raman3 Fr= 1--       2.154                  2.175                  1.277
 ROA3   Fr= 1--     -55.779                 17.346                 -4.375
 CID3   Fr= 1--     -25.893                  7.976                 -3.425
 RC180  Fr= 1--       0.680                 -0.428                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.07  -0.19     0.14   0.08  -0.11     0.00   0.02   0.01
     2  16    -0.01  -0.12   0.09     0.32  -0.05   0.05     0.01  -0.00  -0.01
     3   6    -0.05   0.19  -0.17    -0.06  -0.00   0.02    -0.01   0.00  -0.01
     4   7    -0.10   0.18  -0.09    -0.24   0.03  -0.02    -0.02   0.02  -0.03
     5   6     0.05   0.03  -0.01    -0.12  -0.02   0.05    -0.02  -0.02  -0.00
     6   8     0.22  -0.06   0.11    -0.23   0.03  -0.01    -0.04  -0.01  -0.01
     7   8     0.04  -0.09   0.11    -0.14   0.02  -0.01     0.03  -0.02   0.03
     8   1    -0.09   0.25  -0.19    -0.16   0.03  -0.01     0.00   0.02  -0.00
     9   1    -0.20  -0.02  -0.18     0.19   0.02  -0.09     0.01   0.06  -0.00
    10   1    -0.22   0.10  -0.31     0.17   0.07  -0.12    -0.00   0.02   0.06
    11   1    -0.08   0.00   0.01    -0.12  -0.00   0.02    -0.02   0.04  -0.19
    12   1    -0.14   0.20   0.02    -0.27   0.20  -0.11    -0.20  -0.06   0.64
    13   1    -0.04   0.22  -0.09    -0.42  -0.03  -0.01     0.65   0.01  -0.21
    14   1    -0.24  -0.44   0.11     0.08  -0.50   0.03    -0.01   0.14   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    340.4982               403.7004               544.9987
 Red. masses --      4.0520                 2.9707                 4.5885
 Frc consts  --      0.2768                 0.2853                 0.8030
 IR Inten    --     14.1065                 2.8112                 3.5215
 RamAct Fr= 1--      1.0223                 0.6507                 2.0922
  Dep-P Fr= 1--      0.2285                 0.2024                 0.4139
  Dep-U Fr= 1--      0.3720                 0.3367                 0.5854
 Alpha2 Fr= 1--      0.0129                 0.0088                 0.0147
 Beta2  Fr= 1--      0.0634                 0.0365                 0.2041
 AlphaG Fr= 1--      0.0035                -0.0081                -0.0003
 Gamma2 Fr= 1--      0.1357                -0.2049                 0.5223
 Delta2 Fr= 1--      0.1117                -0.0247                 0.2950
 Raman1 Fr= 1--       4.089                  2.603                  8.369
 ROA1   Fr= 1--      16.597                -20.456                 59.579
 CID1   Fr= 1--       4.059                 -7.860                  7.119
 Raman2 Fr= 1--       0.761                  0.438                  2.450
 ROA2   Fr= 1--       2.362                 -4.719                 10.174
 CID2   Fr= 1--       3.106                -10.770                  4.153
 Raman3 Fr= 1--       1.521                  0.876                  4.899
 ROA3   Fr= 1--      16.597                -20.456                 59.579
 CID3   Fr= 1--      10.910                -23.342                 12.161
 RC180  Fr= 1--      -0.256                 -0.327                  0.171
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.06   0.02    -0.05   0.18  -0.03     0.06  -0.06   0.05
     2  16    -0.03  -0.01   0.00     0.03   0.01   0.00    -0.04  -0.01   0.00
     3   6     0.03  -0.04  -0.08    -0.04   0.02  -0.15     0.15   0.15   0.09
     4   7    -0.22  -0.03   0.16     0.21  -0.04   0.10     0.08   0.27  -0.05
     5   6     0.05  -0.06  -0.09    -0.06  -0.04  -0.07     0.03  -0.11  -0.07
     6   8    -0.08  -0.05   0.05    -0.11  -0.07   0.08    -0.25  -0.06   0.09
     7   8     0.29   0.10  -0.09    -0.03  -0.07  -0.01     0.05  -0.15  -0.07
     8   1     0.17   0.11  -0.10    -0.03   0.07  -0.17     0.33   0.19   0.11
     9   1    -0.07   0.19  -0.03    -0.09   0.53  -0.13     0.07  -0.43   0.15
    10   1    -0.03   0.04   0.15    -0.04   0.14   0.31    -0.02  -0.01  -0.33
    11   1     0.53  -0.02  -0.20    -0.02  -0.10   0.13    -0.07  -0.09  -0.02
    12   1    -0.26   0.12   0.15     0.32  -0.28  -0.04     0.12   0.33  -0.23
    13   1    -0.39   0.08   0.27     0.10   0.24   0.30    -0.02   0.08  -0.14
    14   1    -0.01  -0.00  -0.00    -0.09  -0.13   0.02     0.16   0.09  -0.07
                     10                     11                     12
                      A                      A                      A
 Frequencies --    650.8579               670.1143               790.3789
 Red. masses --      4.5565                 5.7286                 6.7141
 Frc consts  --      1.1372                 1.5156                 2.4712
 IR Inten    --      7.0144                10.1681                 3.8062
 RamAct Fr= 1--      1.1535                17.5421                 2.9408
  Dep-P Fr= 1--      0.6276                 0.1398                 0.6794
  Dep-U Fr= 1--      0.7712                 0.2454                 0.8091
 Alpha2 Fr= 1--      0.0026                 0.2782                 0.0037
 Beta2  Fr= 1--      0.1483                 0.7173                 0.3966
 AlphaG Fr= 1--      0.0029                 0.1246                -0.0043
 Gamma2 Fr= 1--     -0.4494                 0.4155                -1.6766
 Delta2 Fr= 1--      0.2342                 0.2136                 0.0327
 Raman1 Fr= 1--       4.614                 70.168                 11.763
 ROA1   Fr= 1--     -35.650                 46.719               -159.904
 CID1   Fr= 1--      -7.726                  0.666                -13.594
 Raman2 Fr= 1--       1.779                  8.608                  4.759
 ROA2   Fr= 1--     -12.659                  8.262                -40.499
 CID2   Fr= 1--      -7.115                  0.960                 -8.510
 Raman3 Fr= 1--       3.558                 17.216                  9.518
 ROA3   Fr= 1--     -35.650                 46.719               -159.904
 CID3   Fr= 1--     -10.018                  2.714                -16.801
 RC180  Fr= 1--       0.542                 -0.509                  0.618
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.11  -0.09     0.29   0.15  -0.22     0.40   0.02  -0.04
     2  16    -0.01  -0.01   0.01    -0.15  -0.04   0.04    -0.10  -0.03   0.04
     3   6    -0.17   0.04   0.18     0.15  -0.04  -0.04     0.07  -0.02  -0.04
     4   7     0.09   0.10  -0.02    -0.02  -0.08   0.00     0.03   0.04  -0.01
     5   6    -0.06  -0.20   0.24     0.22  -0.06   0.24    -0.32   0.04  -0.22
     6   8     0.01  -0.16  -0.17    -0.08   0.14  -0.01     0.07  -0.20  -0.03
     7   8     0.10   0.13  -0.05    -0.07  -0.07  -0.08    -0.08   0.18   0.18
     8   1    -0.44   0.02   0.15    -0.16   0.01  -0.10     0.23   0.07  -0.04
     9   1     0.10  -0.02  -0.03     0.22   0.36  -0.28     0.44   0.01  -0.03
    10   1    -0.03   0.12  -0.16     0.19   0.13   0.06     0.43   0.01   0.04
    11   1     0.42  -0.06  -0.17    -0.20  -0.01   0.12     0.23   0.01  -0.09
    12   1     0.22  -0.12  -0.23    -0.14   0.10   0.20    -0.02   0.17   0.03
    13   1     0.11  -0.00  -0.09    -0.03  -0.03   0.04    -0.09   0.08   0.05
    14   1    -0.27  -0.10   0.11    -0.36  -0.06   0.14     0.07   0.01  -0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    837.5774               849.7993               879.0396
 Red. masses --      1.8665                 1.5462                 1.1834
 Frc consts  --      0.7715                 0.6579                 0.5388
 IR Inten    --      9.9611                38.3068                67.6491
 RamAct Fr= 1--     13.3571                 1.7465                 1.6325
  Dep-P Fr= 1--      0.0961                 0.7309                 0.5680
  Dep-U Fr= 1--      0.1754                 0.8445                 0.7245
 Alpha2 Fr= 1--      0.2361                 0.0006                 0.0056
 Beta2  Fr= 1--      0.3905                 0.2458                 0.1971
 AlphaG Fr= 1--     -0.1159                 0.0071                 0.0448
 Gamma2 Fr= 1--     -0.3622                 0.6133                 0.0324
 Delta2 Fr= 1--      0.5602                -0.3955                 0.1804
 Raman1 Fr= 1--      53.428                  6.986                  6.530
 ROA1   Fr= 1--     -16.843                 46.221                  8.883
 CID1   Fr= 1--      -0.315                  6.616                  1.360
 Raman2 Fr= 1--       4.686                  2.950                  2.365
 ROA2   Fr= 1--     -13.174                 17.883                 -0.666
 CID2   Fr= 1--      -2.811                  6.062                 -0.282
 Raman3 Fr= 1--       9.372                  5.900                  4.731
 ROA3   Fr= 1--     -16.843                 46.221                  8.883
 CID3   Fr= 1--      -1.797                  7.834                  1.878
 RC180  Fr= 1--      -0.649                  0.689                  0.449
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.09   0.04     0.04  -0.13  -0.03     0.03  -0.05  -0.00
     2  16     0.00  -0.00   0.02    -0.00   0.01   0.01    -0.00   0.00   0.00
     3   6     0.05   0.01  -0.15    -0.04  -0.05  -0.02    -0.05  -0.01   0.01
     4   7     0.01   0.06  -0.02    -0.03   0.12   0.07    -0.03   0.05  -0.02
     5   6     0.01  -0.07   0.14     0.01   0.01  -0.01     0.00   0.02  -0.03
     6   8    -0.01  -0.03  -0.05     0.00   0.02  -0.00     0.01   0.01   0.02
     7   8    -0.05   0.06   0.01     0.02  -0.02   0.01     0.00  -0.00  -0.05
     8   1    -0.11   0.06  -0.18    -0.15   0.12  -0.08    -0.10  -0.00   0.00
     9   1    -0.19   0.12  -0.05     0.13   0.38  -0.16     0.12   0.10  -0.03
    10   1    -0.07  -0.10   0.19    -0.01  -0.18   0.48    -0.00  -0.07   0.18
    11   1     0.11  -0.05   0.08    -0.21   0.17  -0.35     0.34  -0.33   0.80
    12   1    -0.08   0.15   0.17     0.17  -0.10  -0.36    -0.01  -0.07   0.05
    13   1    -0.11   0.27   0.15     0.17  -0.17  -0.19     0.18   0.00  -0.10
    14   1     0.69   0.19  -0.26    -0.05  -0.05   0.02    -0.07  -0.02   0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    898.6714               960.1106              1003.2804
 Red. masses --      1.4791                 1.7972                 1.7796
 Frc consts  --      0.7038                 0.9761                 1.0554
 IR Inten    --     23.2580                94.1396                25.4276
 RamAct Fr= 1--      5.2880                 1.9900                 3.3550
  Dep-P Fr= 1--      0.4004                 0.4156                 0.4884
  Dep-U Fr= 1--      0.5718                 0.5872                 0.6563
 Alpha2 Fr= 1--      0.0391                 0.0139                 0.0175
 Beta2  Fr= 1--      0.5039                 0.1947                 0.3670
 AlphaG Fr= 1--     -0.0304                -0.0253                 0.0032
 Gamma2 Fr= 1--      0.7677                -0.4492                 0.0649
 Delta2 Fr= 1--     -0.4087                -0.0948                -0.1837
 Raman1 Fr= 1--      21.152                  7.960                 13.420
 ROA1   Fr= 1--      60.620                -46.156                  0.349
 CID1   Fr= 1--       2.866                 -5.798                  0.026
 Raman2 Fr= 1--       6.047                  2.337                  4.404
 ROA2   Fr= 1--      21.694                -10.021                  3.027
 CID2   Fr= 1--       3.587                 -4.288                  0.687
 Raman3 Fr= 1--      12.094                  4.674                  8.808
 ROA3   Fr= 1--      60.620                -46.156                  0.349
 CID3   Fr= 1--       5.012                 -9.875                  0.040
 RC180  Fr= 1--       0.144                  0.174                  0.313
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.08   0.02    -0.08   0.06  -0.03    -0.04  -0.00  -0.14
     2  16    -0.02  -0.02   0.03     0.01   0.00  -0.01    -0.01   0.00   0.03
     3   6    -0.12   0.01  -0.02     0.16  -0.03  -0.03     0.03   0.08   0.14
     4   7    -0.04  -0.01   0.03    -0.06   0.01   0.08     0.03  -0.09  -0.02
     5   6     0.02   0.03  -0.02     0.01  -0.05   0.02    -0.04   0.03  -0.05
     6   8     0.01   0.03   0.01    -0.01  -0.04  -0.02    -0.00  -0.01   0.01
     7   8     0.03  -0.03  -0.03    -0.06   0.07   0.04     0.02  -0.02  -0.01
     8   1    -0.15   0.00  -0.03     0.34   0.11  -0.04    -0.08   0.21   0.09
     9   1    -0.08  -0.21   0.07    -0.25  -0.02  -0.04     0.14   0.32  -0.20
    10   1     0.19   0.09  -0.25    -0.04   0.07  -0.15    -0.40   0.03   0.14
    11   1    -0.06   0.02   0.00     0.06  -0.04   0.24     0.04  -0.03  -0.00
    12   1     0.16  -0.41  -0.24     0.13  -0.14  -0.34    -0.09   0.22   0.06
    13   1     0.23  -0.06  -0.08     0.35  -0.48  -0.37    -0.10  -0.34  -0.12
    14   1     0.62   0.12  -0.25     0.01  -0.00  -0.01     0.53   0.13  -0.20
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1102.9822              1154.7053              1210.1755
 Red. masses --      1.9903                 1.3200                 2.8385
 Frc consts  --      1.4266                 1.0370                 2.4493
 IR Inten    --     14.9703                 4.2058                22.1170
 RamAct Fr= 1--      1.7486                 2.0423                 6.7865
  Dep-P Fr= 1--      0.6859                 0.4290                 0.5877
  Dep-U Fr= 1--      0.8137                 0.6004                 0.7403
 Alpha2 Fr= 1--      0.0020                 0.0136                 0.0205
 Beta2  Fr= 1--      0.2371                 0.2044                 0.8374
 AlphaG Fr= 1--      0.0163                 0.0145                -0.0414
 Gamma2 Fr= 1--      0.5465                 0.0261                 0.4136
 Delta2 Fr= 1--      0.6912                -0.1881                 0.1014
 Raman1 Fr= 1--       6.994                  8.169                 27.146
 ROA1   Fr= 1--      74.584                 -3.508                 42.949
 CID1   Fr= 1--      10.663                 -0.429                  1.582
 Raman2 Fr= 1--       2.846                  2.453                 10.049
 ROA2   Fr= 1--       7.586                  2.132                  9.116
 CID2   Fr= 1--       2.666                  0.869                  0.907
 Raman3 Fr= 1--       5.691                  4.905                 20.098
 ROA3   Fr= 1--      74.584                 -3.508                 42.949
 CID3   Fr= 1--      13.106                 -0.715                  2.137
 RC180  Fr= 1--       0.627                  0.201                  0.481
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.07   0.06     0.03  -0.03   0.07    -0.02   0.00  -0.05
     2  16     0.00   0.01   0.00     0.00  -0.00  -0.01     0.00  -0.01   0.00
     3   6    -0.02   0.21  -0.05    -0.02   0.12  -0.01    -0.08  -0.03   0.11
     4   7    -0.06  -0.11  -0.03     0.02  -0.07  -0.01     0.01   0.02  -0.03
     5   6     0.07  -0.05   0.01    -0.01  -0.00   0.01     0.25  -0.09  -0.16
     6   8    -0.03  -0.03  -0.02    -0.01  -0.01  -0.00    -0.05  -0.08  -0.01
     7   8    -0.02   0.05   0.02     0.01  -0.00  -0.01    -0.03   0.13   0.07
     8   1     0.24   0.20  -0.01    -0.28   0.54  -0.17     0.01  -0.02   0.12
     9   1     0.52  -0.02   0.11    -0.41  -0.01   0.01    -0.30   0.12  -0.12
    10   1    -0.46   0.00   0.05     0.44  -0.09   0.09     0.32  -0.06   0.10
    11   1    -0.09   0.08   0.02     0.03  -0.02   0.02    -0.51   0.35   0.35
    12   1     0.08  -0.48  -0.13    -0.06   0.19   0.00    -0.05  -0.03   0.16
    13   1     0.10   0.10   0.06    -0.05  -0.33  -0.14    -0.10   0.16   0.10
    14   1    -0.14  -0.06   0.05    -0.16  -0.04   0.06     0.10   0.03  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1271.3920              1295.8678              1337.0727
 Red. masses --      1.2199                 1.2816                 1.5192
 Frc consts  --      1.1618                 1.2680                 1.6002
 IR Inten    --     18.6911                 5.1753                 5.2111
 RamAct Fr= 1--      1.1777                 4.7017                 3.3249
  Dep-P Fr= 1--      0.4012                 0.3217                 0.3192
  Dep-U Fr= 1--      0.5727                 0.4868                 0.4840
 Alpha2 Fr= 1--      0.0087                 0.0451                 0.0322
 Beta2  Fr= 1--      0.1124                 0.3814                 0.2682
 AlphaG Fr= 1--     -0.0081                 0.0928                 0.0135
 Gamma2 Fr= 1--      0.0823                -2.2995                -1.2846
 Delta2 Fr= 1--      0.0126                 0.2043                -0.3824
 Raman1 Fr= 1--       4.711                 18.807                 13.300
 ROA1   Fr= 1--       8.304               -214.214               -135.563
 CID1   Fr= 1--       1.763                -11.390                -10.193
 Raman2 Fr= 1--       1.349                  4.577                  3.218
 ROA2   Fr= 1--       1.875                -56.822                -27.772
 CID2   Fr= 1--       1.390                -12.414                 -8.629
 Raman3 Fr= 1--       2.698                  9.155                  6.437
 ROA3   Fr= 1--       8.304               -214.214               -135.563
 CID3   Fr= 1--       3.078                -23.399                -21.061
 RC180  Fr= 1--       0.145                 -0.026                 -0.032
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.01  -0.04    -0.01   0.03   0.05     0.09   0.01   0.01
     2  16    -0.01  -0.01   0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
     3   6    -0.06   0.02  -0.03    -0.03  -0.03  -0.09    -0.16  -0.09  -0.03
     4   7     0.02  -0.00   0.00     0.04   0.01   0.06     0.05   0.01   0.01
     5   6    -0.00  -0.01   0.04     0.05  -0.01  -0.03     0.02  -0.01   0.03
     6   8     0.01   0.02  -0.00    -0.01  -0.02  -0.00     0.01   0.02  -0.00
     7   8     0.00  -0.00  -0.01    -0.00   0.02   0.01    -0.00  -0.00  -0.01
     8   1     0.52   0.09   0.05    -0.44  -0.14  -0.14     0.63   0.35  -0.01
     9   1     0.51  -0.01   0.04     0.48  -0.18   0.17    -0.26  -0.05  -0.02
    10   1     0.61  -0.11   0.11    -0.21   0.07  -0.11    -0.49   0.09  -0.04
    11   1     0.00  -0.01   0.01    -0.15   0.09   0.11    -0.02   0.01   0.04
    12   1    -0.03   0.12   0.04    -0.08   0.43   0.05    -0.05   0.24   0.08
    13   1    -0.04  -0.11  -0.04    -0.01  -0.37  -0.16    -0.08  -0.18  -0.07
    14   1     0.11   0.02  -0.04     0.00   0.01   0.00    -0.02   0.01   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1375.7338              1414.5585              1482.8228
 Red. masses --      1.3694                 1.5513                 1.0899
 Frc consts  --      1.5270                 1.8289                 1.4119
 IR Inten    --     31.2046               403.9219                 6.6430
 RamAct Fr= 1--      1.5224                 3.9717                 5.3218
  Dep-P Fr= 1--      0.6673                 0.1713                 0.6361
  Dep-U Fr= 1--      0.8005                 0.2925                 0.7776
 Alpha2 Fr= 1--      0.0022                 0.0581                 0.0110
 Beta2  Fr= 1--      0.2031                 0.1936                 0.6897
 AlphaG Fr= 1--     -0.0241                 0.0099                -0.0166
 Gamma2 Fr= 1--      0.2462                -0.2882                 0.5014
 Delta2 Fr= 1--     -0.3866                -0.1810                -0.3540
 Raman1 Fr= 1--       6.090                 15.887                 21.287
 ROA1   Fr= 1--      11.265                -33.465                 36.809
 CID1   Fr= 1--       1.850                 -2.106                  1.729
 Raman2 Fr= 1--       2.437                  2.324                  8.276
 ROA2   Fr= 1--       9.002                 -5.470                 14.867
 CID2   Fr= 1--       3.693                 -2.354                  1.796
 Raman3 Fr= 1--       4.875                  4.647                 16.552
 ROA3   Fr= 1--      11.265                -33.465                 36.809
 CID3   Fr= 1--       2.311                 -7.201                  2.224
 RC180  Fr= 1--       0.601                 -0.415                  0.555
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.04   0.01     0.01  -0.00  -0.01     0.00   0.05  -0.07
     2  16    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.04  -0.14   0.04    -0.05   0.03   0.00     0.01   0.01  -0.00
     4   7    -0.01   0.01  -0.05     0.01   0.01   0.01    -0.00  -0.00   0.00
     5   6     0.03  -0.01  -0.03     0.12  -0.05  -0.07    -0.00   0.00   0.00
     6   8     0.00   0.02   0.01    -0.01   0.05   0.02     0.00  -0.00  -0.00
     7   8    -0.03   0.00   0.02    -0.11   0.01   0.05     0.00  -0.00  -0.00
     8   1    -0.20   0.79  -0.24    -0.03  -0.19   0.06    -0.01  -0.04   0.00
     9   1     0.31  -0.12   0.10    -0.03   0.00  -0.01    -0.10  -0.67   0.14
    10   1    -0.04   0.04  -0.05     0.02  -0.01   0.03    -0.09  -0.03   0.71
    11   1     0.12  -0.07  -0.09     0.69  -0.43  -0.49    -0.02   0.01   0.00
    12   1     0.03  -0.17  -0.00     0.01   0.03   0.00     0.01  -0.03  -0.01
    13   1    -0.02   0.23   0.10    -0.02  -0.12  -0.06    -0.01  -0.00   0.00
    14   1     0.02   0.01  -0.01     0.01  -0.00  -0.01     0.01  -0.00  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1664.5146              1841.6237              2684.8470
 Red. masses --      1.0873                 9.6630                 1.0387
 Frc consts  --      1.7749                19.3092                 4.4116
 IR Inten    --     38.7097               332.0430                 0.5865
 RamAct Fr= 1--      4.0841                13.1929               161.5888
  Dep-P Fr= 1--      0.7150                 0.3291                 0.2163
  Dep-U Fr= 1--      0.8338                 0.4953                 0.3556
 Alpha2 Fr= 1--      0.0025                 0.1238                 2.1011
 Beta2  Fr= 1--      0.5675                 1.0890                 9.5771
 AlphaG Fr= 1--     -0.0129                 0.0118                -0.1833
 Gamma2 Fr= 1--     -0.2858                -0.0133                -0.7403
 Delta2 Fr= 1--     -0.3474                 0.3521                -0.9844
 Raman1 Fr= 1--      16.336                 52.772                646.355
 ROA1   Fr= 1--     -38.553                  9.991               -102.566
 CID1   Fr= 1--      -2.360                  0.189                 -0.159
 Raman2 Fr= 1--       6.811                 13.068                114.925
 ROA2   Fr= 1--      -4.079                 -3.136                 -9.891
 CID2   Fr= 1--      -0.599                 -0.240                 -0.086
 Raman3 Fr= 1--      13.621                 26.136                229.850
 ROA3   Fr= 1--     -38.553                  9.991               -102.566
 CID3   Fr= 1--      -2.830                  0.382                 -0.446
 RC180  Fr= 1--       0.668                 -0.009                 -0.289
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.01   0.01  -0.01     0.00   0.00   0.00
     2  16     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.03
     3   6    -0.02   0.00   0.01    -0.02  -0.03  -0.00    -0.00  -0.00   0.00
     4   7    -0.02  -0.07   0.01    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
     5   6     0.01  -0.01  -0.00     0.26   0.65   0.17     0.00   0.00   0.00
     6   8    -0.00   0.00   0.00    -0.16  -0.40  -0.10    -0.00  -0.00  -0.00
     7   8    -0.00   0.00   0.00    -0.05  -0.05  -0.00    -0.00  -0.00   0.00
     8   1     0.02   0.03   0.02     0.12   0.09   0.02     0.00  -0.00  -0.00
     9   1    -0.01  -0.01  -0.00     0.01  -0.01  -0.00     0.00  -0.00  -0.01
    10   1     0.01  -0.00   0.02     0.05   0.01   0.02     0.00   0.00  -0.00
    11   1     0.03  -0.02  -0.00     0.40  -0.18  -0.25     0.00   0.00  -0.00
    12   1    -0.05   0.57  -0.44     0.01  -0.01  -0.03     0.00   0.00  -0.00
    13   1     0.53   0.42   0.13     0.00   0.02   0.01     0.00   0.00  -0.00
    14   1     0.00   0.00  -0.00     0.02   0.00  -0.01     0.42  -0.25   0.87
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3032.7371              3071.9768              3139.3509
 Red. masses --      1.0838                 1.0610                 1.1050
 Frc consts  --      5.8732                 5.8994                 6.4163
 IR Inten    --     10.9753                 9.2632                 0.9793
 RamAct Fr= 1--     91.7186                60.5624                38.0859
  Dep-P Fr= 1--      0.1625                 0.0395                 0.5246
  Dep-U Fr= 1--      0.2796                 0.0760                 0.6882
 Alpha2 Fr= 1--      1.3733                 1.2265                 0.1668
 Beta2  Fr= 1--      4.2744                 0.7669                 4.3684
 AlphaG Fr= 1--     -0.3661                 0.2947                -0.1169
 Gamma2 Fr= 1--      3.9026                -0.3811                 0.2203
 Delta2 Fr= 1--      3.4308                -1.0943                -0.1738
 Raman1 Fr= 1--     366.874                242.250                152.344
 ROA1   Fr= 1--     484.438                -71.598                 15.584
 CID1   Fr= 1--       1.320                 -0.296                  0.102
 Raman2 Fr= 1--      51.292                  9.203                 52.421
 ROA2   Fr= 1--      66.217                 -0.391                  6.678
 CID2   Fr= 1--       1.291                 -0.043                  0.127
 Raman3 Fr= 1--     102.585                 18.405                104.842
 ROA3   Fr= 1--     484.438                -71.598                 15.584
 CID3   Fr= 1--       4.722                 -3.890                  0.149
 RC180  Fr= 1--      -0.441                 -0.848                  0.376
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.01     0.01   0.02  -0.06    -0.00  -0.08  -0.04
     2  16    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.01  -0.02  -0.08     0.00  -0.00  -0.01     0.00  -0.00  -0.01
     4   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     6   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     7   8    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   1    -0.15   0.24   0.94    -0.02   0.04   0.15    -0.01   0.01   0.06
     9   1     0.02  -0.05  -0.16    -0.10   0.24   0.82    -0.06   0.11   0.44
    10   1    -0.00   0.02   0.00    -0.06  -0.46  -0.07     0.13   0.87   0.09
    11   1     0.00   0.01   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    12   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.01   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1    -0.00  -0.00   0.00     0.01  -0.00   0.01     0.00  -0.00   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3427.3898              3489.9952              3566.4034
 Red. masses --      1.0641                 1.0516                 1.0922
 Frc consts  --      7.3645                 7.5466                 8.1845
 IR Inten    --    251.3311                 5.3853                23.1422
 RamAct Fr= 1--     76.3720                92.4451                39.7682
  Dep-P Fr= 1--      0.0782                 0.0685                 0.6180
  Dep-U Fr= 1--      0.1451                 0.1282                 0.7639
 Alpha2 Fr= 1--      1.4098                 1.7471                 0.0961
 Beta2  Fr= 1--      1.8471                 1.9754                 5.0634
 AlphaG Fr= 1--      0.4934                 0.2747                -0.1319
 Gamma2 Fr= 1--     -1.0606                13.2042               -12.9393
 Delta2 Fr= 1--     -1.8848                 4.3790                -2.1716
 Raman1 Fr= 1--     305.488                369.780                159.073
 ROA1   Fr= 1--    -162.134               1407.728              -1311.670
 CID1   Fr= 1--      -0.531                  3.807                 -8.246
 Raman2 Fr= 1--      22.166                 23.705                 60.761
 ROA2   Fr= 1--     -10.377                281.869               -293.171
 CID2   Fr= 1--      -0.468                 11.891                 -4.825
 Raman3 Fr= 1--      44.331                 47.409                121.523
 ROA3   Fr= 1--    -162.134               1407.728              -1311.670
 CID3   Fr= 1--      -3.657                 29.693                -10.794
 RC180  Fr= 1--      -0.710                 -0.744                  0.528
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     2  16    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   7    -0.01  -0.01   0.00    -0.04  -0.04   0.01    -0.05   0.02  -0.06
     5   6     0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.03  -0.05  -0.01     0.01   0.01   0.00     0.00   0.00   0.00
     8   1    -0.00  -0.01  -0.01     0.00   0.00  -0.01    -0.00   0.00   0.01
     9   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    10   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    11   1     0.51   0.84   0.12    -0.08  -0.13  -0.02    -0.01  -0.01  -0.00
    12   1     0.13   0.03   0.04     0.75   0.21   0.26     0.50   0.15   0.14
    13   1    -0.02   0.04  -0.06    -0.15   0.28  -0.45     0.19  -0.43   0.69
    14   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number 16 and mass  31.97207
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  7 and mass  14.00307
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   121.01975 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   410.161721526.674211784.56527
           X            0.99986  -0.01325   0.01021
           Y            0.01362   0.99923  -0.03687
           Z           -0.00971   0.03700   0.99927
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.21117     0.05673     0.04854
 Rotational constants (GHZ):           4.40007     1.18214     1.01131
 Zero-point vibrational energy     283779.8 (Joules/Mol)
                                   67.82500 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     91.72   152.64   186.58   253.42   360.59
          (Kelvin)            467.34   489.90   580.83   784.13   936.44
                              964.15  1137.18  1205.09  1222.67  1264.74
                             1292.99  1381.39  1443.50  1586.95  1661.36
                             1741.17  1829.25  1864.46  1923.75  1979.37
                             2035.23  2133.45  2394.87  2649.69  3862.90
                             4363.43  4419.89  4516.83  4931.25  5021.32
                             5131.26
 
 Zero-point correction=                           0.108086 (Hartree/Particle)
 Thermal correction to Energy=                    0.116257
 Thermal correction to Enthalpy=                  0.117201
 Thermal correction to Gibbs Free Energy=         0.074641
 Sum of electronic and zero-point Energies=           -722.017131
 Sum of electronic and thermal Energies=              -722.008960
 Sum of electronic and thermal Enthalpies=            -722.008015
 Sum of electronic and thermal Free Energies=         -722.050576
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   72.952             28.254             89.576
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.287
 Rotational               0.889              2.981             28.504
 Vibrational             71.175             22.293             20.785
 Vibration     1          0.597              1.972              4.338
 Vibration     2          0.605              1.944              3.339
 Vibration     3          0.612              1.924              2.951
 Vibration     4          0.628              1.872              2.369
 Vibration     5          0.663              1.762              1.726
 Vibration     6          0.709              1.626              1.286
 Vibration     7          0.720              1.595              1.210
 Vibration     8          0.769              1.462              0.949
 Vibration     9          0.900              1.151              0.555
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.465157D-34        -34.332400        -79.053272
 Total V=0       0.241922D+16         15.383676         35.422223
 Vib (Bot)       0.234909D-47        -47.629101       -109.670058
 Vib (Bot)    1  0.323794D+01          0.510269          1.174939
 Vib (Bot)    2  0.193206D+01          0.286022          0.658589
 Vib (Bot)    3  0.157216D+01          0.196496          0.452448
 Vib (Bot)    4  0.114181D+01          0.057593          0.132612
 Vib (Bot)    5  0.778512D+00         -0.108734         -0.250370
 Vib (Bot)    6  0.577052D+00         -0.238785         -0.549823
 Vib (Bot)    7  0.545161D+00         -0.263475         -0.606674
 Vib (Bot)    8  0.440307D+00         -0.356245         -0.820284
 Vib (Bot)    9  0.289330D+00         -0.538606         -1.240186
 Vib (V=0)       0.122173D+03          2.086975          4.805438
 Vib (V=0)    1  0.377632D+01          0.577069          1.328750
 Vib (V=0)    2  0.249571D+01          0.397195          0.914575
 Vib (V=0)    3  0.214975D+01          0.332388          0.765351
 Vib (V=0)    4  0.174648D+01          0.242165          0.557605
 Vib (V=0)    5  0.142525D+01          0.153890          0.354345
 Vib (V=0)    6  0.126354D+01          0.101588          0.233915
 Vib (V=0)    7  0.123973D+01          0.093327          0.214894
 Vib (V=0)    8  0.116624D+01          0.066786          0.153781
 Vib (V=0)    9  0.107768D+01          0.032489          0.074809
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523285D+08          7.718738         17.773052
 Rotational      0.378410D+06          5.577963         12.843733
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3 3          3 3 3           2                             1     1      1 1 1111 1 1 1   1                                   
     5  4 4          1 0 0           6                             8     6      4 4 3322 2 1 1   09 88887   66   5    4 33  2 1 11   
     6  9 2          3 7 3           8                             4     6      8 1 7397 1 5 0   06 97539   75   4    0 42  5 7 306  
     6  0 7          9 2 3           5                             2     5      3 5 6761 0 5 3   30 99080   01   5    4 05  1 6 064  
 
     X  X X          X X X           X                             X     X      X X XXXX X X X   XX XXXXX   XX   X    X XX  X X XXX  
          X                                                        X     X        X X             X  XX                              
          X                                                        X              X               X  X                               
          X                                                        X              X               X                                  
          X                                                        X              X               X                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000007511   -0.000000448    0.000001023
      2       16          -0.000003275    0.000001154    0.000001829
      3        6          -0.000003591    0.000005826   -0.000003199
      4        7          -0.000002386   -0.000007963    0.000005140
      5        6           0.000007336   -0.000007526   -0.000005413
      6        8          -0.000000364    0.000007272    0.000003100
      7        8          -0.000004865    0.000005814    0.000004709
      8        1           0.000001930   -0.000000444   -0.000001552
      9        1          -0.000000685    0.000000948   -0.000000085
     10        1          -0.000001963    0.000001121   -0.000001041
     11        1          -0.000001339   -0.000004955   -0.000001299
     12        1           0.000000908   -0.000000408   -0.000000227
     13        1           0.000000416   -0.000000855   -0.000001697
     14        1           0.000000366    0.000000463   -0.000001289
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000007963 RMS     0.000003640
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.912320D+02  0.830241D+00 -0.101974D+01
      2   0.830241D+00  0.754633D+02  0.234720D+01
      3  -0.101974D+01  0.234720D+01  0.631210D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.286080D+01 -0.409996D+00 -0.158699D+01
      2   0.740009D+01 -0.672542D+01  0.271109D+02
      3   0.803365D+01 -0.145743D+02  0.514524D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.958457D+02 -0.168515D+02  0.152735D+02
      2  -0.565789D+02  0.128472D+02 -0.145238D+02
      3  -0.392668D+02  0.400434D+01 -0.749713D+00
      4  -0.184764D+02  0.112476D+02 -0.178723D+02
      5   0.181256D+02 -0.187339D+02  0.484122D+02
      6  -0.576976D+01 -0.665093D+01  0.339929D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.115369D+02 -0.191587D+01  0.175373D+01 -0.368048D+01  0.209575D+01
      2  -0.191587D+01 -0.225590D+00 -0.506402D+00  0.209575D+01  0.355343D+01
      3   0.175373D+01 -0.506402D+00 -0.102216D+00  0.228407D+00  0.123077D+00
                 6             7             8             9            10 
      1   0.228407D+00  0.331587D+01  0.590134D+00  0.112897D+01  0.129302D+02
      2   0.123077D+00  0.590134D+00  0.131290D+01 -0.844460D+00  0.240707D+01
      3  -0.183416D+01  0.112897D+01 -0.844460D+00 -0.434862D+01 -0.428200D+01
                11            12            13            14            15 
      1   0.240707D+01 -0.428200D+01  0.417784D+01  0.265243D+01  0.645841D+00
      2   0.182753D+01  0.648098D+00  0.265243D+01  0.253828D+00 -0.102410D+01
      3   0.648098D+00 -0.464768D+00  0.645841D+00 -0.102410D+01  0.210651D+01
                16            17            18            19            20 
      1  -0.692221D+01  0.873632D+00  0.877274D+00  0.324857D+01  0.159750D+01
      2   0.873632D+00 -0.201234D+01  0.182735D+01  0.159750D+01 -0.745513D+00
      3   0.877274D+00  0.182735D+01 -0.675842D+01 -0.108587D+01 -0.737904D-01
                21            22            23            24            25 
      1  -0.108587D+01  0.398037D+01 -0.292136D+00  0.539489D+00 -0.304676D+01
      2  -0.737904D-01 -0.292136D+00 -0.207744D+01  0.488334D+00 -0.278422D+00
      3  -0.868228D+00  0.539489D+00  0.488334D+00  0.179320D+01 -0.110572D+01
                26            27            28            29            30 
      1  -0.278422D+00 -0.110572D+01 -0.487007D+01  0.219667D+00 -0.205727D+00
      2  -0.518061D-01  0.240354D+01  0.219667D+00 -0.110686D+01  0.293476D-01
      3   0.240354D+01  0.502816D+01 -0.205727D+00  0.293476D-01  0.107311D+01
                31            32            33            34            35 
      1  -0.107334D+01 -0.385128D+00 -0.726883D+00 -0.262467D+00 -0.563316D+00
      2  -0.385128D+00  0.283961D+01  0.127511D+01 -0.563316D+00  0.272710D+01
      3  -0.726883D+00  0.127511D+01 -0.167294D+01  0.109226D+01 -0.176344D+01
                36            37            38            39            40 
      1   0.109226D+01 -0.248196D+01 -0.606952D+00  0.700285D+00  0.147225D+00
      2  -0.176344D+01 -0.606952D+00  0.133437D+01  0.126438D+01  0.286069D+01
      3   0.201692D+01  0.700285D+00  0.126438D+01  0.102132D+00  0.117213D+01
                41            42            43            44            45 
      1   0.286069D+01  0.117213D+01  0.176813D+01  0.180575D+01  0.368421D+00
      2   0.480435D+01  0.964920D+00  0.180575D+01  0.121395D+01 -0.191575D+00
      3   0.964920D+00  0.180845D+00  0.368421D+00 -0.191575D+00 -0.604875D+00
                46            47            48            49            50 
      1  -0.391767D+01 -0.383233D+01 -0.138221D+01 -0.497552D+01 -0.386442D+01
      2  -0.383233D+01 -0.292198D+01 -0.982251D+00 -0.386442D+01 -0.112817D+02
      3  -0.138221D+01 -0.982251D+00 -0.866252D+00 -0.680511D+00 -0.190712D+01
                51            52            53            54            55 
      1  -0.680511D+00 -0.160178D+01 -0.829879D+00 -0.187479D+01 -0.659574D+01
      2  -0.190712D+01 -0.829879D+00 -0.141384D+01 -0.299373D+01  0.124231D+01
      3  -0.241894D+01 -0.187479D+01 -0.299373D+01 -0.224046D+01  0.221060D+01
                56            57            58            59            60 
      1   0.124231D+01  0.221060D+01 -0.179687D+01 -0.371691D+01  0.425710D+00
      2  -0.260556D+01 -0.421619D+00 -0.371691D+01 -0.355304D+00  0.540513D+00
      3  -0.421619D+00 -0.137154D+01  0.425710D+00  0.540513D+00  0.107217D+00
                61            62            63            64            65 
      1   0.145547D+01 -0.892894D+00 -0.177443D+01  0.573626D+00 -0.662597D+00
      2  -0.892894D+00  0.630549D-01  0.118961D+01 -0.662597D+00  0.322233D+00
      3  -0.177443D+01  0.118961D+01  0.265939D+01 -0.759372D+00  0.732361D-02
                66            67            68            69            70 
      1  -0.759372D+00 -0.118879D+01  0.316390D+00 -0.114810D-01 -0.144085D+01
      2   0.732361D-02  0.316390D+00 -0.825522D+00 -0.134116D+01  0.116657D+00
      3   0.795303D+00 -0.114810D-01 -0.134116D+01 -0.154017D+01  0.138767D+00
                71            72            73            74            75 
      1   0.116657D+00  0.138767D+00  0.317666D+00  0.301068D+00  0.676383D+00
      2  -0.195186D+01 -0.148529D+01  0.301068D+00 -0.462535D-01  0.114651D+00
      3  -0.148529D+01 -0.722634D+01  0.676383D+00  0.114651D+00 -0.791135D+00
                76            77            78            79            80 
      1   0.155982D+01 -0.533817D+00 -0.753690D-01  0.246107D+01 -0.847908D-01
      2  -0.533817D+00  0.732984D-01  0.783738D+00 -0.847908D-01  0.931034D+00
      3  -0.753690D-01  0.783738D+00  0.137295D+01 -0.130553D+01 -0.176986D+00
                81            82            83            84            85 
      1  -0.130553D+01 -0.543783D+00 -0.666402D+00 -0.221089D+00 -0.264970D+01
      2  -0.176986D+00 -0.666402D+00 -0.481327D+00  0.258025D+00 -0.156627D+01
      3   0.679792D+01 -0.221089D+00  0.258025D+00 -0.173831D+00  0.202599D+00
                86            87            88            89            90 
      1  -0.156627D+01  0.202599D+00 -0.139809D+01 -0.231369D-01 -0.421664D+00
      2  -0.657859D+01  0.625626D+00 -0.231369D-01 -0.438403D+00 -0.780247D+00
      3   0.625626D+00 -0.815223D+00 -0.421664D+00 -0.780247D+00  0.332496D+00
                91            92            93            94            95 
      1   0.238511D+01  0.174789D+01 -0.806762D+00  0.425256D+01  0.441137D+00
      2   0.174789D+01  0.105274D+01 -0.898678D-01  0.441137D+00  0.411305D+01
      3  -0.806762D+00 -0.898678D-01  0.151539D+00 -0.108573D+01  0.837393D+00
                96            97            98            99           100 
      1  -0.108573D+01  0.314934D-01 -0.237962D+00 -0.442219D+00  0.621004D+01
      2   0.837393D+00 -0.237962D+00  0.899045D+00  0.776795D+00  0.497859D+00
      3   0.139247D+01 -0.442219D+00  0.776795D+00  0.137016D+01  0.931788D+00
               101           102           103           104           105 
      1   0.497859D+00  0.931788D+00  0.140924D+01  0.164393D+01 -0.333302D-01
      2   0.343711D+01 -0.965041D-01  0.164393D+01  0.203320D+01  0.940615D-01
      3  -0.965041D-01  0.846533D+00 -0.333302D-01  0.940615D-01  0.738820D+00
               106           107           108           109           110 
      1   0.201455D+01 -0.151428D-01  0.159261D+00 -0.717162D+00  0.723741D+00
      2  -0.151428D-01  0.788089D+00  0.658154D+00  0.723741D+00 -0.850683D+00
      3   0.159261D+00  0.658154D+00  0.420432D+00 -0.453515D+00  0.391798D+00
               111           112           113           114           115 
      1  -0.453515D+00  0.878678D+00 -0.562985D+00  0.291079D+00 -0.114294D+01
      2   0.391798D+00 -0.562985D+00  0.386537D+01 -0.216971D+01  0.801780D+00
      3  -0.133832D+01  0.291079D+00 -0.216971D+01  0.247000D+01 -0.100550D+01
               116           117           118           119           120 
      1   0.801780D+00 -0.100550D+01  0.499814D+01 -0.105295D+01  0.292376D+01
      2  -0.363628D+01  0.314188D+01 -0.105295D+01  0.100978D+01 -0.543186D+00
      3   0.314188D+01 -0.372544D+01  0.292376D+01 -0.543186D+00  0.300768D+01
               121           122           123           124           125 
      1  -0.104104D+01  0.911349D+00 -0.891951D+00  0.476852D+01 -0.126241D+01
      2   0.911349D+00 -0.417569D+00  0.709315D+00 -0.126241D+01  0.156936D+01
      3  -0.891951D+00  0.709315D+00 -0.188057D+01  0.416490D+01 -0.176160D+01
               126 
      1   0.416490D+01
      2  -0.176160D+01
      3   0.627866D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.102676D+01 -0.565014D+00 -0.489261D+00  0.242231D+01  0.372191D+01
      2   0.495112D+01 -0.104339D+01 -0.157667D+00  0.651974D+00 -0.169289D+01
      3   0.633560D+01  0.388137D+01 -0.132559D+00  0.975170D+01 -0.449676D+01
                 6             7             8             9            10 
      1  -0.448927D+01  0.250140D+01  0.184843D+01 -0.394727D+01 -0.456402D+00
      2  -0.155267D+01 -0.936494D+01 -0.167942D+01 -0.282338D+01 -0.147794D+02
      3  -0.100494D+01 -0.238869D+01 -0.599801D+00 -0.452760D+00 -0.130942D+02
                11            12            13            14            15 
      1   0.107174D+01  0.973737D+00 -0.146632D+00  0.133288D+01 -0.826820D+01
      2   0.112387D+01  0.281350D+01  0.279288D+00 -0.215063D+01  0.574035D+01
      3  -0.816473D+01  0.496695D-01  0.119953D+02 -0.315786D+01  0.272029D+01
                16            17            18            19            20 
      1   0.303767D-02  0.767804D+01 -0.265099D+01 -0.142288D+01 -0.229574D-01
      2  -0.145326D+02  0.587162D+01 -0.200375D+02  0.609305D+01  0.605899D+00
      3   0.482333D+00  0.590209D+01 -0.554879D+01  0.304104D+01 -0.676550D+01
                21            22            23            24            25 
      1  -0.765857D-01 -0.313018D+01  0.116016D+01  0.120385D+01 -0.558106D+00
      2   0.455241D+01  0.145189D+01 -0.968606D-01  0.141455D+01 -0.546404D+01
      3   0.819270D+00 -0.592581D-01 -0.167338D+01  0.258827D+01  0.962404D+00
                26            27            28            29            30 
      1   0.344112D+01 -0.261191D+00  0.158795D+01  0.477447D+00 -0.140631D+01
      2  -0.139092D+01 -0.323536D+01 -0.332495D-01 -0.229146D-01  0.334026D+01
      3   0.168478D+01  0.679047D+00 -0.160746D+02 -0.516539D+01 -0.239279D+01
                31            32            33            34            35 
      1   0.170228D+01 -0.602105D+01 -0.174169D+01 -0.241186D+01  0.847089D+01
      2   0.476361D+00 -0.692406D+00 -0.473859D+00 -0.354550D+01  0.197278D+00
      3   0.175485D+01  0.173949D+01 -0.106465D+01 -0.323121D+01  0.124008D+01
                36            37            38            39            40 
      1  -0.566634D+01 -0.660805D+00  0.146767D+01  0.252192D+01  0.207603D+01
      2  -0.123441D+01 -0.955326D+01 -0.485360D+00 -0.455079D+01  0.436048D+01
      3   0.174221D+01 -0.875769D+01  0.234414D+01  0.560386D+00  0.554547D+01
                41            42            43            44            45 
      1  -0.608256D+01  0.559184D+01 -0.119905D+00  0.621352D+01  0.643715D+01
      2  -0.101804D+01 -0.413030D+01 -0.158137D+02 -0.148683D+01  0.554488D+01
      3   0.130320D+02 -0.540014D+00 -0.281082D+01 -0.219069D+01  0.730328D+00
                46            47            48            49            50 
      1   0.277260D+00  0.961364D+00 -0.385557D+01  0.381199D+00  0.286993D+01
      2   0.208469D+01  0.100153D+01  0.618530D+01 -0.475961D+01  0.252851D+01
      3  -0.369471D+00 -0.776621D+01 -0.158580D+01  0.507826D+01 -0.216683D+02
                51            52            53            54            55 
      1  -0.952685D+01 -0.645322D-01  0.189126D+01 -0.252020D+01 -0.213341D+01
      2   0.675697D+01  0.282997D+01  0.566878D+01  0.306403D+01  0.214739D+01
      3  -0.286722D+01  0.430215D+00 -0.177738D+01 -0.575275D+01 -0.536414D+01
                56            57            58            59            60 
      1  -0.457581D+01  0.235953D+01 -0.452668D+01 -0.213137D+01 -0.263041D+01
      2   0.283442D+01  0.789853D+01  0.774368D+00  0.618778D+00 -0.147116D+00
      3  -0.151372D+02 -0.644135D-01 -0.119059D+02 -0.588642D+01  0.279260D+01
                61            62            63            64            65 
      1   0.994308D+00  0.295441D+01 -0.185080D+01  0.285709D+00 -0.589494D+00
      2   0.466986D+01 -0.176442D+01 -0.755328D+01  0.128917D+01 -0.319519D+00
      3   0.155863D+01  0.208427D+01  0.231120D+01  0.826992D-02  0.340962D+00
                66            67            68            69            70 
      1   0.927623D-01  0.343982D+00  0.900997D+00 -0.442827D+00  0.237593D+00
      2  -0.594014D-02 -0.100039D+01  0.885036D+00  0.242091D+00 -0.330784D+01
      3  -0.499047D+00  0.240885D+01 -0.148244D+00 -0.664765D+00  0.987537D+00
                71            72            73            74            75 
      1   0.325826D+01 -0.664774D+00  0.130593D+01 -0.983585D+00 -0.629398D+00
      2   0.526123D+00  0.210797D+01  0.179245D+01  0.254066D+00  0.775222D+00
      3  -0.420572D+00 -0.459290D+00  0.340787D+00 -0.232011D+01 -0.740551D+00
                76            77            78            79            80 
      1  -0.910124D+00  0.686610D+00  0.765112D+00 -0.120471D+01  0.250264D+01
      2  -0.113146D+01  0.954638D+00  0.104576D+01 -0.457355D+01  0.229267D+00
      3  -0.150525D+00 -0.164053D+00 -0.455459D+00 -0.211090D+01 -0.111761D+00
                81            82            83            84            85 
      1   0.496104D+01 -0.114419D+01 -0.523721D+00 -0.766451D+00 -0.131328D+01
      2   0.453117D+01  0.497108D+00  0.616460D+00  0.128860D+01  0.146798D+01
      3   0.179216D+01  0.309152D+01 -0.122429D+01  0.536745D-01  0.525509D+01
                86            87            88            89            90 
      1  -0.336669D+01 -0.212331D+01 -0.967118D+00 -0.195131D+00  0.148062D+00
      2   0.152929D+01 -0.387840D+00 -0.564749D+00 -0.279857D+00 -0.118917D+00
      3   0.514750D+01  0.716407D-01  0.149101D+01  0.645372D+00  0.121395D+01
                91            92            93            94            95 
      1   0.328873D+01  0.386308D+01  0.147568D+00  0.449713D+01  0.362599D+01
      2  -0.275750D+01 -0.218055D+01 -0.180412D+01 -0.946356D+00 -0.336290D+01
      3   0.870749D+01  0.922131D+01 -0.117774D+01  0.118198D+02  0.138420D+02
                96            97            98            99           100 
      1  -0.181021D+01  0.307883D+00  0.970534D+00 -0.129236D+01 -0.259834D+01
      2  -0.296860D+01 -0.180166D+01 -0.212010D+01 -0.758199D+00 -0.445695D+00
      3  -0.206689D+00 -0.104279D+01  0.414267D+00  0.737601D+00  0.209851D+02
               101           102           103           104           105 
      1  -0.544301D+00 -0.284851D+01 -0.252719D+00 -0.877229D+00 -0.126804D+01
      2   0.534830D+00  0.557151D+00  0.634323D-01  0.384684D+00  0.117356D+01
      3  -0.248761D+01  0.281422D+01  0.282067D+01  0.192320D+01 -0.433528D+00
               106           107           108           109           110 
      1  -0.373332D+00 -0.306665D+00 -0.957961D+00  0.279538D+00 -0.977960D+00
      2  -0.175667D+01  0.121968D+01  0.310917D+00  0.274973D-01 -0.366890D+00
      3   0.597116D+01 -0.673943D+00 -0.431989D+00 -0.113568D+01  0.398163D+00
               111           112           113           114           115 
      1   0.308462D+01 -0.359417D+00  0.343694D+01 -0.553194D+01  0.151186D+01
      2   0.645532D+00  0.442691D+00  0.386729D+00 -0.665503D+00 -0.159261D+01
      3   0.266988D+00  0.292148D+01  0.520568D+00 -0.381087D+00 -0.257294D+01
               116           117           118           119           120 
      1  -0.413950D+01  0.753621D+01  0.364139D+00  0.941539D+00  0.891947D+00
      2  -0.673502D+00  0.125563D+01  0.817648D+01 -0.137836D+01  0.100238D+02
      3   0.147936D+00 -0.704321D+00  0.187116D+01 -0.488670D+01  0.856165D+00
               121           122           123           124           125 
      1  -0.273782D+00 -0.430630D+00 -0.128986D+01  0.558255D+00  0.314406D+01
      2  -0.213065D+01  0.172606D+01 -0.604741D+01  0.920202D+01 -0.473299D+01
      3  -0.161984D+01  0.140552D+01 -0.106302D+01  0.227407D+01 -0.634464D+01
               126 
      1   0.190194D+01
      2   0.194550D+02
      3   0.414340D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.482332D+02 -0.334104D+01  0.297137D+01 -0.727240D+01  0.136008D+02
      2   0.243766D+02  0.148703D+01 -0.204211D+01  0.204402D+01 -0.135590D+02
      3   0.238566D+02  0.185401D+01 -0.929257D+00  0.522838D+01 -0.417116D-01
      4   0.100828D+01 -0.913908D+01 -0.249136D+01  0.111913D+02  0.227373D+01
      5   0.555879D+01 -0.209851D+01 -0.694349D+01  0.201890D+01  0.185233D+00
      6  -0.244044D+01  0.105450D+01 -0.471412D+00  0.113633D+01  0.199142D+00
                 6             7             8             9            10 
      1   0.545675D+01  0.548225D+01  0.443336D+01  0.822001D+01  0.790965D+02
      2  -0.389145D+00 -0.554161D+01 -0.132813D+01  0.246318D+01 -0.369351D+02
      3  -0.506760D+01  0.593521D-01 -0.310523D+01 -0.106832D+02 -0.421614D+02
      4  -0.717930D+00  0.467376D+00  0.270102D+01 -0.206983D+01  0.454608D+01
      5  -0.317391D+01  0.375093D+01 -0.261957D+00 -0.334316D+01 -0.258342D+02
      6   0.417817D+01 -0.964763D+00  0.245033D+01  0.486947D+00  0.415871D+01
                11            12            13            14            15 
      1   0.107520D+02 -0.231048D+02  0.193545D+02 -0.237831D+01 -0.100796D+01
      2  -0.825123D+01  0.120849D+02 -0.154504D+02  0.183011D+02  0.781357D+00
      3  -0.250079D+01  0.110200D+02 -0.390405D+01 -0.159227D+02  0.226604D+00
      4   0.237384D+02  0.496260D+01  0.285723D+02 -0.386201D+01 -0.511239D+01
      5   0.461896D+01  0.615883D+01  0.477632D+01 -0.446445D+01  0.116060D+02
      6  -0.206181D+00  0.141428D+01 -0.641478D+00  0.466843D+01  0.117123D+02
                16            17            18            19            20 
      1  -0.286237D+02 -0.382011D+00 -0.795197D+01  0.126803D+01 -0.184152D+01
      2   0.183501D+02 -0.127774D+01 -0.441884D+01  0.126622D+01 -0.652480D+00
      3   0.102736D+02  0.165975D+01  0.123708D+02 -0.253425D+01  0.249400D+01
      4   0.827135D+01 -0.935033D+01  0.967208D+01 -0.188488D+01  0.563062D+01
      5   0.119183D+02  0.102128D+02 -0.392125D+02  0.280678D+01  0.143440D+01
      6   0.998503D+00  0.138638D+02  0.881767D+01 -0.759360D+00 -0.211633D+01
                21            22            23            24            25 
      1   0.718973D+00  0.230848D+01  0.446336D+01  0.362718D+01 -0.551867D+01
      2  -0.151938D+01 -0.190950D+01 -0.501496D+01  0.260779D+01  0.141582D+01
      3   0.800407D+00 -0.398979D+00  0.551601D+00 -0.623497D+01  0.410285D+01
      4   0.218275D+01 -0.704706D+01  0.584183D+01  0.166331D+01  0.377772D+01
      5   0.394832D+01  0.130959D+01  0.140384D+01  0.170667D+01 -0.716296D+00
      6   0.572115D-01  0.238172D+01 -0.348291D+00 -0.776362D+01  0.894505D+00
                26            27            28            29            30 
      1   0.418134D+01  0.457024D+01  0.532522D+01  0.275621D+01 -0.214601D+01
      2   0.176802D+01  0.973151D+01 -0.516851D+01 -0.485475D+01  0.162093D+01
      3  -0.594936D+01 -0.143017D+02 -0.156709D+00  0.209854D+01  0.525080D+00
      4  -0.370639D+01 -0.355336D+00 -0.738222D+01 -0.201806D+01 -0.617543D+00
      5  -0.130947D+01 -0.804157D+00 -0.194639D+01  0.492944D+00  0.530909D+01
      6   0.183607D+01 -0.276831D+01 -0.170328D+01 -0.529825D+00  0.409795D+01
                31            32            33            34            35 
      1  -0.122670D+01 -0.123791D+02 -0.629992D+01  0.584121D+00 -0.793626D+01
      2  -0.136727D+01  0.214619D+02  0.560863D+01  0.419294D+00  0.830861D+01
      3   0.259397D+01 -0.908275D+01  0.691291D+00 -0.100342D+01 -0.372346D+00
      4   0.279256D+01 -0.560676D+01 -0.336814D+01 -0.961449D+00 -0.273213D+01
      5   0.104823D+01 -0.199776D+01  0.312810D+00  0.297295D+01  0.968870D+00
      6  -0.516578D+01  0.933706D+01  0.188260D+00  0.466157D+01 -0.667762D+01
                36            37            38            39            40 
      1   0.403295D+01 -0.353528D+01  0.953446D+01  0.369295D+00 -0.671383D+01
      2  -0.774329D+01 -0.944185D+00 -0.108304D+02 -0.464188D+01  0.807885D+00
      3   0.371033D+01  0.447946D+01  0.129599D+01  0.427258D+01  0.590595D+01
      4   0.296961D+01 -0.165163D+01 -0.167552D+02 -0.637238D+01 -0.255702D+02
      5  -0.300743D+01 -0.167987D+01 -0.783929D+01 -0.933603D+01 -0.130046D+02
      6   0.118732D+02 -0.863641D+00 -0.483750D+00 -0.284645D+01 -0.850023D+00
                41            42            43            44            45 
      1   0.295841D+00 -0.108325D+00  0.304494D+01 -0.575180D+01 -0.408511D+01
      2  -0.133517D+02  0.590631D+01 -0.361282D+01 -0.983572D+00 -0.176600D+01
      3   0.130558D+02 -0.579799D+01  0.567872D+00  0.673537D+01  0.585111D+01
      4  -0.264581D+02 -0.463724D+01 -0.148984D+02  0.130729D+01 -0.208974D+01
      5  -0.565015D+01 -0.749434D+01 -0.269921D+01 -0.155533D+01  0.518058D+01
      6  -0.493686D+01 -0.925956D+01 -0.155281D+01  0.320926D+01 -0.557139D+01
                46            47            48            49            50 
      1   0.222257D+02  0.956217D+01  0.300557D+01  0.125845D+02 -0.122901D+02
      2  -0.698697D+01  0.186173D+01 -0.213543D+01  0.997104D+00  0.344840D+02
      3  -0.152387D+02 -0.114239D+02 -0.870146D+00 -0.135816D+02 -0.221939D+02
      4   0.253887D+02  0.268012D+02  0.646559D+01  0.323708D+02  0.537728D+02
      5   0.895114D+01  0.698615D+01  0.122266D+02  0.645709D+01  0.106674D+02
      6   0.260310D+01  0.222982D+01  0.547126D+01  0.378065D+01  0.641930D+01
                51            52            53            54            55 
      1  -0.327503D+01  0.355279D+01 -0.137664D+01 -0.176767D+01  0.423165D+02
      2   0.112977D+01 -0.171088D+01  0.129203D+01 -0.564966D+00 -0.256166D+02
      3   0.214527D+01 -0.184191D+01  0.846185D-01  0.233264D+01 -0.166999D+02
      4   0.885216D+01  0.645787D+01  0.604471D+01  0.143647D+02 -0.178980D+02
      5   0.145446D+02  0.143582D+02  0.144652D+02  0.107628D+02 -0.137110D+02
      6   0.145685D+02  0.638659D+01  0.124990D+02  0.669244D+01  0.221460D+01
                56            57            58            59            60 
      1  -0.606331D+01 -0.693027D+01  0.643106D+01  0.111281D+02 -0.286438D+01
      2   0.103173D+01  0.888770D+01 -0.714966D+01 -0.295301D+01  0.293690D+00
      3   0.503158D+01 -0.195743D+01  0.718597D+00 -0.817508D+01  0.257069D+01
      4   0.196345D+02  0.497889D+01  0.200063D+02 -0.644085D+01 -0.255663D+01
      5   0.431419D+01  0.170086D+02  0.826484D+00 -0.416283D+01 -0.134033D+01
      6  -0.128621D+01 -0.368316D+01 -0.685776D+00  0.169480D+01  0.735494D+01
                61            62            63            64            65 
      1  -0.357862D+01  0.215734D+01  0.316443D+01  0.256805D+00  0.151589D+00
      2   0.460249D+01 -0.166982D+01 -0.112801D+02 -0.343507D+01  0.659305D+00
      3  -0.102386D+01 -0.487525D+00  0.811562D+01  0.317826D+01 -0.810894D+00
      4   0.722385D+01 -0.497642D+01 -0.678832D+01 -0.404780D+00  0.739113D+00
      5   0.164034D+02 -0.628428D+01 -0.171549D+02 -0.737571D+00  0.941646D+00
      6  -0.193814D+01  0.522163D+01  0.334257D+01  0.105929D+01 -0.365618D+00
                66            67            68            69            70 
      1   0.123522D+01  0.141841D+00 -0.452054D+01 -0.355306D+01  0.139373D+01
      2   0.728222D+00  0.860596D+00  0.255727D+00 -0.183433D+01  0.764009D+00
      3  -0.196345D+01 -0.100244D+01  0.426481D+01  0.538739D+01 -0.215774D+01
      4   0.447279D+00  0.264190D+01 -0.790956D+00 -0.885804D-01  0.926804D+00
      5   0.430860D+01  0.113028D+01 -0.199873D+00 -0.454988D+00  0.433091D+01
      6  -0.164420D+00 -0.701770D+00  0.367323D+01  0.733061D+01 -0.762075D+00
                71            72            73            74            75 
      1  -0.228330D+01 -0.179004D+02  0.392784D+01  0.232326D-01  0.258305D+01
      2  -0.378537D+01 -0.134817D+02 -0.455244D+01  0.158284D+00  0.869644D+00
      3   0.606867D+01  0.313821D+02  0.624602D+00 -0.181517D+00 -0.345270D+01
      4   0.881113D+00  0.152800D+00 -0.613267D+00  0.227549D+01 -0.171694D+00
      5   0.353972D+00  0.619770D+00 -0.190511D+01  0.634601D+00  0.562104D+01
      6   0.508576D+01  0.506390D+01  0.570655D+00 -0.587931D+00  0.365040D+00
                76            77            78            79            80 
      1   0.426698D+01 -0.406860D+01 -0.242609D+01  0.871443D+01  0.867229D+00
      2  -0.134458D+01  0.144226D+01 -0.167189D+01 -0.959914D+00 -0.126144D+01
      3  -0.292240D+01  0.262634D+01  0.409797D+01 -0.775451D+01  0.394210D+00
      4  -0.440519D+00  0.704140D+00  0.987813D+00 -0.184153D+01  0.485416D+00
      5   0.544825D+00  0.485185D+00  0.131259D+01  0.248338D+01 -0.685303D+00
      6  -0.687079D+00  0.400867D+00  0.358570D+01  0.105677D+01  0.372074D+01
                81            82            83            84            85 
      1  -0.214275D+02  0.100781D+01 -0.233201D+01  0.280550D+00 -0.975906D+01
      2  -0.808350D+01  0.202870D+01  0.301726D+01 -0.764005D-02  0.883722D+01
      3   0.295110D+02 -0.303650D+01 -0.685254D+00 -0.272910D+00  0.921844D+00
      4   0.829458D+00  0.158903D+01  0.592020D+01  0.468088D+00  0.245340D+01
      5   0.479216D+01 -0.206720D+00 -0.223657D+00  0.200992D+01 -0.788385D+00
      6  -0.433623D+01  0.335476D+00 -0.962158D+00  0.431265D+00 -0.157969D+01
                86            87            88            89            90 
      1  -0.211390D+02  0.296560D+01 -0.261430D+01 -0.384761D+00 -0.435288D+01
      2   0.283233D+02 -0.197428D+01  0.228726D+01  0.103572D+01  0.232908D+01
      3  -0.718425D+01 -0.991319D+00  0.327041D+00 -0.650961D+00  0.202380D+01
      4  -0.448251D+01  0.546388D+00  0.678352D-01 -0.116976D+01 -0.314992D+00
      5  -0.287294D+00 -0.393734D+00  0.627075D+00 -0.677859D+00 -0.305751D+00
      6  -0.537598D+01  0.417921D+01  0.141067D+01  0.431376D+01 -0.765440D+00
                91            92            93            94            95 
      1  -0.131302D+02 -0.512028D+01  0.204235D+01 -0.143610D+02 -0.823060D+01
      2   0.104364D+02  0.178373D+01 -0.305467D+01  0.815099D+01  0.919419D+01
      3   0.269379D+01  0.333654D+01  0.101233D+01  0.620997D+01 -0.963589D+00
      4  -0.229718D+01 -0.249707D+01 -0.103478D+01  0.426703D+01 -0.148002D+02
      5   0.379139D+01  0.428895D-01 -0.385452D+01  0.472626D+01 -0.282182D+01
      6  -0.157406D+01 -0.606279D+00 -0.120781D+01 -0.277397D+01  0.414336D+01
                96            97            98            99           100 
      1   0.786400D+00  0.144875D+01 -0.250002D+01 -0.275577D+01  0.499150D+01
      2  -0.784454D+00 -0.106398D+01  0.202305D+01  0.702898D+00  0.102589D+01
      3  -0.194608D-02 -0.384776D+00  0.476966D+00  0.205287D+01 -0.601740D+01
      4  -0.462599D+01  0.423993D+00 -0.242217D+01 -0.247968D+01  0.112020D+02
      5  -0.598617D+01  0.196968D+01 -0.245902D+01 -0.239810D+01 -0.384118D+00
      6   0.323189D+01 -0.719984D+00  0.361716D+01  0.387899D+01  0.247864D+01
               101           102           103           104           105 
      1  -0.932124D+01  0.162710D+01 -0.338643D+01 -0.228701D+01 -0.471600D-01
      2   0.130665D+02  0.195862D+00  0.615802D+01  0.634328D+01  0.510824D+00
      3  -0.374531D+01 -0.182297D+01 -0.277159D+01 -0.405627D+01 -0.463664D+00
      4   0.842475D+01  0.171386D+01  0.825076D+01  0.722374D+01  0.870897D+00
      5  -0.208958D-01 -0.393261D-01 -0.745487D+00  0.333733D+00  0.161683D+01
      6  -0.613277D+00  0.448807D+01 -0.112927D+00 -0.201860D-01  0.270562D+01
               106           107           108           109           110 
      1  -0.134949D+00 -0.168443D+01 -0.159004D+01 -0.100124D+01  0.189651D+01
      2   0.418721D+00  0.197678D+01  0.749277D+00  0.139423D+01 -0.188884D+01
      3  -0.283772D+00 -0.292346D+00  0.840760D+00 -0.392985D+00 -0.766865D-02
      4   0.347122D+01  0.121076D+01  0.165836D+01 -0.225712D+01  0.452436D+01
      5   0.154788D+01  0.128562D+01  0.189027D+00  0.138243D+01 -0.233652D+01
      6   0.576171D+00  0.338440D+01  0.146672D+01 -0.274067D+01  0.333540D+01
               111           112           113           114           115 
      1  -0.137820D+01  0.155682D+01 -0.134786D+02  0.819044D+01 -0.265415D+01
      2   0.632375D+00 -0.192430D+01  0.158204D+02 -0.851816D+01  0.142503D+01
      3   0.745821D+00  0.367481D+00 -0.234181D+01  0.327718D+00  0.122912D+01
      4  -0.319767D+01  0.437008D+01 -0.257666D+01  0.174138D+01 -0.365167D+01
      5   0.342121D+01 -0.109827D+01  0.132718D+01 -0.973976D+00  0.329068D+01
      6  -0.554216D+01  0.200181D+01 -0.147315D+02  0.142492D+02 -0.465386D+01
               116           117           118           119           120 
      1   0.129296D+02 -0.131526D+02  0.271269D+02 -0.554981D+01  0.173662D+02
      2  -0.113128D+02  0.679921D+01 -0.177107D+02  0.285863D+01 -0.109387D+02
      3  -0.161681D+01  0.635342D+01 -0.941623D+01  0.269117D+01 -0.642750D+01
      4   0.327321D+01 -0.385656D+01 -0.851470D+01  0.818407D+01 -0.498641D+01
      5  -0.214960D+01  0.312807D+01  0.228948D+02 -0.459971D+01  0.232822D+02
      6   0.182255D+02 -0.189748D+02 -0.333903D+01  0.113783D+01 -0.240966D+01
               121           122           123           124           125 
      1  -0.447826D+01  0.974986D+00 -0.300924D+01  0.195832D+02 -0.383449D+01
      2   0.239686D+01 -0.129643D+00  0.146349D+01 -0.161137D+02  0.364989D+01
      3   0.208140D+01 -0.845342D+00  0.154576D+01 -0.346948D+01  0.184600D+00
      4   0.737320D+01 -0.396794D+01  0.542521D+01 -0.973495D+01  0.845367D+01
      5  -0.720123D+01  0.518157D+01 -0.112820D+02  0.309941D+02 -0.110735D+02
      6   0.287824D+01 -0.277621D+01  0.685978D+01 -0.456291D+01  0.471353D+01
               126 
      1   0.129157D+02
      2  -0.175175D+02
      3   0.460181D+01
      4  -0.116926D+02
      5   0.405338D+02
      6  -0.685904D+01
 Leave Link  716 at Mon Aug 16 21:30:41 2021, MaxMem=  5637144576 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.912320D+02  0.830241D+00 -0.101974D+01
      2   0.830241D+00  0.754633D+02  0.234720D+01
      3  -0.101974D+01  0.234720D+01  0.631210D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.286080D+01 -0.409996D+00 -0.158699D+01
      2   0.740009D+01 -0.672542D+01  0.271109D+02
      3   0.803365D+01 -0.145743D+02  0.514524D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.958457D+02 -0.168515D+02  0.152735D+02
      2  -0.565789D+02  0.128472D+02 -0.145238D+02
      3  -0.392668D+02  0.400434D+01 -0.749713D+00
      4  -0.184764D+02  0.112476D+02 -0.178723D+02
      5   0.181256D+02 -0.187339D+02  0.484122D+02
      6  -0.576976D+01 -0.665093D+01  0.339929D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.115369D+02 -0.191587D+01  0.175373D+01 -0.368048D+01  0.209575D+01
      2  -0.191587D+01 -0.225590D+00 -0.506402D+00  0.209575D+01  0.355343D+01
      3   0.175373D+01 -0.506402D+00 -0.102216D+00  0.228407D+00  0.123077D+00
                 6             7             8             9            10 
      1   0.228407D+00  0.331587D+01  0.590134D+00  0.112897D+01  0.129302D+02
      2   0.123077D+00  0.590134D+00  0.131290D+01 -0.844460D+00  0.240707D+01
      3  -0.183416D+01  0.112897D+01 -0.844460D+00 -0.434862D+01 -0.428200D+01
                11            12            13            14            15 
      1   0.240707D+01 -0.428200D+01  0.417784D+01  0.265243D+01  0.645841D+00
      2   0.182753D+01  0.648098D+00  0.265243D+01  0.253828D+00 -0.102410D+01
      3   0.648098D+00 -0.464768D+00  0.645841D+00 -0.102410D+01  0.210651D+01
                16            17            18            19            20 
      1  -0.692221D+01  0.873632D+00  0.877274D+00  0.324857D+01  0.159750D+01
      2   0.873632D+00 -0.201234D+01  0.182735D+01  0.159750D+01 -0.745513D+00
      3   0.877274D+00  0.182735D+01 -0.675842D+01 -0.108587D+01 -0.737904D-01
                21            22            23            24            25 
      1  -0.108587D+01  0.398037D+01 -0.292136D+00  0.539489D+00 -0.304676D+01
      2  -0.737904D-01 -0.292136D+00 -0.207744D+01  0.488334D+00 -0.278422D+00
      3  -0.868228D+00  0.539489D+00  0.488334D+00  0.179320D+01 -0.110572D+01
                26            27            28            29            30 
      1  -0.278422D+00 -0.110572D+01 -0.487007D+01  0.219667D+00 -0.205727D+00
      2  -0.518061D-01  0.240354D+01  0.219667D+00 -0.110686D+01  0.293476D-01
      3   0.240354D+01  0.502816D+01 -0.205727D+00  0.293476D-01  0.107311D+01
                31            32            33            34            35 
      1  -0.107334D+01 -0.385128D+00 -0.726883D+00 -0.262467D+00 -0.563316D+00
      2  -0.385128D+00  0.283961D+01  0.127511D+01 -0.563316D+00  0.272710D+01
      3  -0.726883D+00  0.127511D+01 -0.167294D+01  0.109226D+01 -0.176344D+01
                36            37            38            39            40 
      1   0.109226D+01 -0.248196D+01 -0.606952D+00  0.700285D+00  0.147225D+00
      2  -0.176344D+01 -0.606952D+00  0.133437D+01  0.126438D+01  0.286069D+01
      3   0.201692D+01  0.700285D+00  0.126438D+01  0.102132D+00  0.117213D+01
                41            42            43            44            45 
      1   0.286069D+01  0.117213D+01  0.176813D+01  0.180575D+01  0.368421D+00
      2   0.480435D+01  0.964920D+00  0.180575D+01  0.121395D+01 -0.191575D+00
      3   0.964920D+00  0.180845D+00  0.368421D+00 -0.191575D+00 -0.604875D+00
                46            47            48            49            50 
      1  -0.391767D+01 -0.383233D+01 -0.138221D+01 -0.497552D+01 -0.386442D+01
      2  -0.383233D+01 -0.292198D+01 -0.982251D+00 -0.386442D+01 -0.112817D+02
      3  -0.138221D+01 -0.982251D+00 -0.866252D+00 -0.680511D+00 -0.190712D+01
                51            52            53            54            55 
      1  -0.680511D+00 -0.160178D+01 -0.829879D+00 -0.187479D+01 -0.659574D+01
      2  -0.190712D+01 -0.829879D+00 -0.141384D+01 -0.299373D+01  0.124231D+01
      3  -0.241894D+01 -0.187479D+01 -0.299373D+01 -0.224046D+01  0.221060D+01
                56            57            58            59            60 
      1   0.124231D+01  0.221060D+01 -0.179687D+01 -0.371691D+01  0.425710D+00
      2  -0.260556D+01 -0.421619D+00 -0.371691D+01 -0.355304D+00  0.540513D+00
      3  -0.421619D+00 -0.137154D+01  0.425710D+00  0.540513D+00  0.107217D+00
                61            62            63            64            65 
      1   0.145547D+01 -0.892894D+00 -0.177443D+01  0.573626D+00 -0.662597D+00
      2  -0.892894D+00  0.630549D-01  0.118961D+01 -0.662597D+00  0.322233D+00
      3  -0.177443D+01  0.118961D+01  0.265939D+01 -0.759372D+00  0.732361D-02
                66            67            68            69            70 
      1  -0.759372D+00 -0.118879D+01  0.316390D+00 -0.114810D-01 -0.144085D+01
      2   0.732361D-02  0.316390D+00 -0.825522D+00 -0.134116D+01  0.116657D+00
      3   0.795303D+00 -0.114810D-01 -0.134116D+01 -0.154017D+01  0.138767D+00
                71            72            73            74            75 
      1   0.116657D+00  0.138767D+00  0.317666D+00  0.301068D+00  0.676383D+00
      2  -0.195186D+01 -0.148529D+01  0.301068D+00 -0.462535D-01  0.114651D+00
      3  -0.148529D+01 -0.722634D+01  0.676383D+00  0.114651D+00 -0.791135D+00
                76            77            78            79            80 
      1   0.155982D+01 -0.533817D+00 -0.753690D-01  0.246107D+01 -0.847908D-01
      2  -0.533817D+00  0.732984D-01  0.783738D+00 -0.847908D-01  0.931034D+00
      3  -0.753690D-01  0.783738D+00  0.137295D+01 -0.130553D+01 -0.176986D+00
                81            82            83            84            85 
      1  -0.130553D+01 -0.543783D+00 -0.666402D+00 -0.221089D+00 -0.264970D+01
      2  -0.176986D+00 -0.666402D+00 -0.481327D+00  0.258025D+00 -0.156627D+01
      3   0.679792D+01 -0.221089D+00  0.258025D+00 -0.173831D+00  0.202599D+00
                86            87            88            89            90 
      1  -0.156627D+01  0.202599D+00 -0.139809D+01 -0.231369D-01 -0.421664D+00
      2  -0.657859D+01  0.625626D+00 -0.231369D-01 -0.438403D+00 -0.780247D+00
      3   0.625626D+00 -0.815223D+00 -0.421664D+00 -0.780247D+00  0.332496D+00
                91            92            93            94            95 
      1   0.238511D+01  0.174789D+01 -0.806762D+00  0.425256D+01  0.441137D+00
      2   0.174789D+01  0.105274D+01 -0.898678D-01  0.441137D+00  0.411305D+01
      3  -0.806762D+00 -0.898678D-01  0.151539D+00 -0.108573D+01  0.837393D+00
                96            97            98            99           100 
      1  -0.108573D+01  0.314934D-01 -0.237962D+00 -0.442219D+00  0.621004D+01
      2   0.837393D+00 -0.237962D+00  0.899045D+00  0.776795D+00  0.497859D+00
      3   0.139247D+01 -0.442219D+00  0.776795D+00  0.137016D+01  0.931788D+00
               101           102           103           104           105 
      1   0.497859D+00  0.931788D+00  0.140924D+01  0.164393D+01 -0.333302D-01
      2   0.343711D+01 -0.965041D-01  0.164393D+01  0.203320D+01  0.940615D-01
      3  -0.965041D-01  0.846533D+00 -0.333302D-01  0.940615D-01  0.738820D+00
               106           107           108           109           110 
      1   0.201455D+01 -0.151428D-01  0.159261D+00 -0.717162D+00  0.723741D+00
      2  -0.151428D-01  0.788089D+00  0.658154D+00  0.723741D+00 -0.850683D+00
      3   0.159261D+00  0.658154D+00  0.420432D+00 -0.453515D+00  0.391798D+00
               111           112           113           114           115 
      1  -0.453515D+00  0.878678D+00 -0.562985D+00  0.291079D+00 -0.114294D+01
      2   0.391798D+00 -0.562985D+00  0.386537D+01 -0.216971D+01  0.801780D+00
      3  -0.133832D+01  0.291079D+00 -0.216971D+01  0.247000D+01 -0.100550D+01
               116           117           118           119           120 
      1   0.801780D+00 -0.100550D+01  0.499814D+01 -0.105295D+01  0.292376D+01
      2  -0.363628D+01  0.314188D+01 -0.105295D+01  0.100978D+01 -0.543186D+00
      3   0.314188D+01 -0.372544D+01  0.292376D+01 -0.543186D+00  0.300768D+01
               121           122           123           124           125 
      1  -0.104104D+01  0.911349D+00 -0.891951D+00  0.476852D+01 -0.126241D+01
      2   0.911349D+00 -0.417569D+00  0.709315D+00 -0.126241D+01  0.156936D+01
      3  -0.891951D+00  0.709315D+00 -0.188057D+01  0.416490D+01 -0.176160D+01
               126 
      1   0.416490D+01
      2  -0.176160D+01
      3   0.627866D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.102676D+01 -0.565014D+00 -0.489261D+00  0.242231D+01  0.372191D+01
      2   0.495112D+01 -0.104339D+01 -0.157667D+00  0.651974D+00 -0.169289D+01
      3   0.633560D+01  0.388137D+01 -0.132559D+00  0.975170D+01 -0.449676D+01
                 6             7             8             9            10 
      1  -0.448927D+01  0.250140D+01  0.184843D+01 -0.394727D+01 -0.456402D+00
      2  -0.155267D+01 -0.936494D+01 -0.167942D+01 -0.282338D+01 -0.147794D+02
      3  -0.100494D+01 -0.238869D+01 -0.599801D+00 -0.452760D+00 -0.130942D+02
                11            12            13            14            15 
      1   0.107174D+01  0.973737D+00 -0.146632D+00  0.133288D+01 -0.826820D+01
      2   0.112387D+01  0.281350D+01  0.279288D+00 -0.215063D+01  0.574035D+01
      3  -0.816473D+01  0.496695D-01  0.119953D+02 -0.315786D+01  0.272029D+01
                16            17            18            19            20 
      1   0.303767D-02  0.767804D+01 -0.265099D+01 -0.142288D+01 -0.229574D-01
      2  -0.145326D+02  0.587162D+01 -0.200375D+02  0.609305D+01  0.605899D+00
      3   0.482333D+00  0.590209D+01 -0.554879D+01  0.304104D+01 -0.676550D+01
                21            22            23            24            25 
      1  -0.765857D-01 -0.313018D+01  0.116016D+01  0.120385D+01 -0.558106D+00
      2   0.455241D+01  0.145189D+01 -0.968606D-01  0.141455D+01 -0.546404D+01
      3   0.819270D+00 -0.592581D-01 -0.167338D+01  0.258827D+01  0.962404D+00
                26            27            28            29            30 
      1   0.344112D+01 -0.261191D+00  0.158795D+01  0.477447D+00 -0.140631D+01
      2  -0.139092D+01 -0.323536D+01 -0.332495D-01 -0.229146D-01  0.334026D+01
      3   0.168478D+01  0.679047D+00 -0.160746D+02 -0.516539D+01 -0.239279D+01
                31            32            33            34            35 
      1   0.170228D+01 -0.602105D+01 -0.174169D+01 -0.241186D+01  0.847089D+01
      2   0.476361D+00 -0.692406D+00 -0.473859D+00 -0.354550D+01  0.197278D+00
      3   0.175485D+01  0.173949D+01 -0.106465D+01 -0.323121D+01  0.124008D+01
                36            37            38            39            40 
      1  -0.566634D+01 -0.660805D+00  0.146767D+01  0.252192D+01  0.207603D+01
      2  -0.123441D+01 -0.955326D+01 -0.485360D+00 -0.455079D+01  0.436048D+01
      3   0.174221D+01 -0.875769D+01  0.234414D+01  0.560386D+00  0.554547D+01
                41            42            43            44            45 
      1  -0.608256D+01  0.559184D+01 -0.119905D+00  0.621352D+01  0.643715D+01
      2  -0.101804D+01 -0.413030D+01 -0.158137D+02 -0.148683D+01  0.554488D+01
      3   0.130320D+02 -0.540014D+00 -0.281082D+01 -0.219069D+01  0.730328D+00
                46            47            48            49            50 
      1   0.277260D+00  0.961364D+00 -0.385557D+01  0.381199D+00  0.286993D+01
      2   0.208469D+01  0.100153D+01  0.618530D+01 -0.475961D+01  0.252851D+01
      3  -0.369471D+00 -0.776621D+01 -0.158580D+01  0.507826D+01 -0.216683D+02
                51            52            53            54            55 
      1  -0.952685D+01 -0.645322D-01  0.189126D+01 -0.252020D+01 -0.213341D+01
      2   0.675697D+01  0.282997D+01  0.566878D+01  0.306403D+01  0.214739D+01
      3  -0.286722D+01  0.430215D+00 -0.177738D+01 -0.575275D+01 -0.536414D+01
                56            57            58            59            60 
      1  -0.457581D+01  0.235953D+01 -0.452668D+01 -0.213137D+01 -0.263041D+01
      2   0.283442D+01  0.789853D+01  0.774368D+00  0.618778D+00 -0.147116D+00
      3  -0.151372D+02 -0.644135D-01 -0.119059D+02 -0.588642D+01  0.279260D+01
                61            62            63            64            65 
      1   0.994308D+00  0.295441D+01 -0.185080D+01  0.285709D+00 -0.589494D+00
      2   0.466986D+01 -0.176442D+01 -0.755328D+01  0.128917D+01 -0.319519D+00
      3   0.155863D+01  0.208427D+01  0.231120D+01  0.826992D-02  0.340962D+00
                66            67            68            69            70 
      1   0.927623D-01  0.343982D+00  0.900997D+00 -0.442827D+00  0.237593D+00
      2  -0.594014D-02 -0.100039D+01  0.885036D+00  0.242091D+00 -0.330784D+01
      3  -0.499047D+00  0.240885D+01 -0.148244D+00 -0.664765D+00  0.987537D+00
                71            72            73            74            75 
      1   0.325826D+01 -0.664774D+00  0.130593D+01 -0.983585D+00 -0.629398D+00
      2   0.526123D+00  0.210797D+01  0.179245D+01  0.254066D+00  0.775222D+00
      3  -0.420572D+00 -0.459290D+00  0.340787D+00 -0.232011D+01 -0.740551D+00
                76            77            78            79            80 
      1  -0.910124D+00  0.686610D+00  0.765112D+00 -0.120471D+01  0.250264D+01
      2  -0.113146D+01  0.954638D+00  0.104576D+01 -0.457355D+01  0.229267D+00
      3  -0.150525D+00 -0.164053D+00 -0.455459D+00 -0.211090D+01 -0.111761D+00
                81            82            83            84            85 
      1   0.496104D+01 -0.114419D+01 -0.523721D+00 -0.766451D+00 -0.131328D+01
      2   0.453117D+01  0.497108D+00  0.616460D+00  0.128860D+01  0.146798D+01
      3   0.179216D+01  0.309152D+01 -0.122429D+01  0.536745D-01  0.525509D+01
                86            87            88            89            90 
      1  -0.336669D+01 -0.212331D+01 -0.967118D+00 -0.195131D+00  0.148062D+00
      2   0.152929D+01 -0.387840D+00 -0.564749D+00 -0.279857D+00 -0.118917D+00
      3   0.514750D+01  0.716407D-01  0.149101D+01  0.645372D+00  0.121395D+01
                91            92            93            94            95 
      1   0.328873D+01  0.386308D+01  0.147568D+00  0.449713D+01  0.362599D+01
      2  -0.275750D+01 -0.218055D+01 -0.180412D+01 -0.946356D+00 -0.336290D+01
      3   0.870749D+01  0.922131D+01 -0.117774D+01  0.118198D+02  0.138420D+02
                96            97            98            99           100 
      1  -0.181021D+01  0.307883D+00  0.970534D+00 -0.129236D+01 -0.259834D+01
      2  -0.296860D+01 -0.180166D+01 -0.212010D+01 -0.758199D+00 -0.445695D+00
      3  -0.206689D+00 -0.104279D+01  0.414267D+00  0.737601D+00  0.209851D+02
               101           102           103           104           105 
      1  -0.544301D+00 -0.284851D+01 -0.252719D+00 -0.877229D+00 -0.126804D+01
      2   0.534830D+00  0.557151D+00  0.634323D-01  0.384684D+00  0.117356D+01
      3  -0.248761D+01  0.281422D+01  0.282067D+01  0.192320D+01 -0.433528D+00
               106           107           108           109           110 
      1  -0.373332D+00 -0.306665D+00 -0.957961D+00  0.279538D+00 -0.977960D+00
      2  -0.175667D+01  0.121968D+01  0.310917D+00  0.274973D-01 -0.366890D+00
      3   0.597116D+01 -0.673943D+00 -0.431989D+00 -0.113568D+01  0.398163D+00
               111           112           113           114           115 
      1   0.308462D+01 -0.359417D+00  0.343694D+01 -0.553194D+01  0.151186D+01
      2   0.645532D+00  0.442691D+00  0.386729D+00 -0.665503D+00 -0.159261D+01
      3   0.266988D+00  0.292148D+01  0.520568D+00 -0.381087D+00 -0.257294D+01
               116           117           118           119           120 
      1  -0.413950D+01  0.753621D+01  0.364139D+00  0.941539D+00  0.891947D+00
      2  -0.673502D+00  0.125563D+01  0.817648D+01 -0.137836D+01  0.100238D+02
      3   0.147936D+00 -0.704321D+00  0.187116D+01 -0.488670D+01  0.856165D+00
               121           122           123           124           125 
      1  -0.273782D+00 -0.430630D+00 -0.128986D+01  0.558255D+00  0.314406D+01
      2  -0.213065D+01  0.172606D+01 -0.604741D+01  0.920202D+01 -0.473299D+01
      3  -0.161984D+01  0.140552D+01 -0.106302D+01  0.227407D+01 -0.634464D+01
               126 
      1   0.190194D+01
      2   0.194550D+02
      3   0.414340D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.482332D+02 -0.334104D+01  0.297137D+01 -0.727240D+01  0.136008D+02
      2   0.243766D+02  0.148703D+01 -0.204211D+01  0.204402D+01 -0.135590D+02
      3   0.238566D+02  0.185401D+01 -0.929257D+00  0.522838D+01 -0.417116D-01
      4   0.100828D+01 -0.913908D+01 -0.249136D+01  0.111913D+02  0.227373D+01
      5   0.555879D+01 -0.209851D+01 -0.694349D+01  0.201890D+01  0.185233D+00
      6  -0.244044D+01  0.105450D+01 -0.471412D+00  0.113633D+01  0.199142D+00
                 6             7             8             9            10 
      1   0.545675D+01  0.548225D+01  0.443336D+01  0.822001D+01  0.790965D+02
      2  -0.389145D+00 -0.554161D+01 -0.132813D+01  0.246318D+01 -0.369351D+02
      3  -0.506760D+01  0.593521D-01 -0.310523D+01 -0.106832D+02 -0.421614D+02
      4  -0.717930D+00  0.467376D+00  0.270102D+01 -0.206983D+01  0.454608D+01
      5  -0.317391D+01  0.375093D+01 -0.261957D+00 -0.334316D+01 -0.258342D+02
      6   0.417817D+01 -0.964763D+00  0.245033D+01  0.486947D+00  0.415871D+01
                11            12            13            14            15 
      1   0.107520D+02 -0.231048D+02  0.193545D+02 -0.237831D+01 -0.100796D+01
      2  -0.825123D+01  0.120849D+02 -0.154504D+02  0.183011D+02  0.781357D+00
      3  -0.250079D+01  0.110200D+02 -0.390405D+01 -0.159227D+02  0.226604D+00
      4   0.237384D+02  0.496260D+01  0.285723D+02 -0.386201D+01 -0.511239D+01
      5   0.461896D+01  0.615883D+01  0.477632D+01 -0.446445D+01  0.116060D+02
      6  -0.206181D+00  0.141428D+01 -0.641478D+00  0.466843D+01  0.117123D+02
                16            17            18            19            20 
      1  -0.286237D+02 -0.382011D+00 -0.795197D+01  0.126803D+01 -0.184152D+01
      2   0.183501D+02 -0.127774D+01 -0.441884D+01  0.126622D+01 -0.652480D+00
      3   0.102736D+02  0.165975D+01  0.123708D+02 -0.253425D+01  0.249400D+01
      4   0.827135D+01 -0.935033D+01  0.967208D+01 -0.188488D+01  0.563062D+01
      5   0.119183D+02  0.102128D+02 -0.392125D+02  0.280678D+01  0.143440D+01
      6   0.998503D+00  0.138638D+02  0.881767D+01 -0.759360D+00 -0.211633D+01
                21            22            23            24            25 
      1   0.718973D+00  0.230848D+01  0.446336D+01  0.362718D+01 -0.551867D+01
      2  -0.151938D+01 -0.190950D+01 -0.501496D+01  0.260779D+01  0.141582D+01
      3   0.800407D+00 -0.398979D+00  0.551601D+00 -0.623497D+01  0.410285D+01
      4   0.218275D+01 -0.704706D+01  0.584183D+01  0.166331D+01  0.377772D+01
      5   0.394832D+01  0.130959D+01  0.140384D+01  0.170667D+01 -0.716296D+00
      6   0.572115D-01  0.238172D+01 -0.348291D+00 -0.776362D+01  0.894505D+00
                26            27            28            29            30 
      1   0.418134D+01  0.457024D+01  0.532522D+01  0.275621D+01 -0.214601D+01
      2   0.176802D+01  0.973151D+01 -0.516851D+01 -0.485475D+01  0.162093D+01
      3  -0.594936D+01 -0.143017D+02 -0.156709D+00  0.209854D+01  0.525080D+00
      4  -0.370639D+01 -0.355336D+00 -0.738222D+01 -0.201806D+01 -0.617543D+00
      5  -0.130947D+01 -0.804157D+00 -0.194639D+01  0.492944D+00  0.530909D+01
      6   0.183607D+01 -0.276831D+01 -0.170328D+01 -0.529825D+00  0.409795D+01
                31            32            33            34            35 
      1  -0.122670D+01 -0.123791D+02 -0.629992D+01  0.584121D+00 -0.793626D+01
      2  -0.136727D+01  0.214619D+02  0.560863D+01  0.419294D+00  0.830861D+01
      3   0.259397D+01 -0.908275D+01  0.691291D+00 -0.100342D+01 -0.372346D+00
      4   0.279256D+01 -0.560676D+01 -0.336814D+01 -0.961449D+00 -0.273213D+01
      5   0.104823D+01 -0.199776D+01  0.312810D+00  0.297295D+01  0.968870D+00
      6  -0.516578D+01  0.933706D+01  0.188260D+00  0.466157D+01 -0.667762D+01
                36            37            38            39            40 
      1   0.403295D+01 -0.353528D+01  0.953446D+01  0.369295D+00 -0.671383D+01
      2  -0.774329D+01 -0.944185D+00 -0.108304D+02 -0.464188D+01  0.807885D+00
      3   0.371033D+01  0.447946D+01  0.129599D+01  0.427258D+01  0.590595D+01
      4   0.296961D+01 -0.165163D+01 -0.167552D+02 -0.637238D+01 -0.255702D+02
      5  -0.300743D+01 -0.167987D+01 -0.783929D+01 -0.933603D+01 -0.130046D+02
      6   0.118732D+02 -0.863641D+00 -0.483750D+00 -0.284645D+01 -0.850023D+00
                41            42            43            44            45 
      1   0.295841D+00 -0.108325D+00  0.304494D+01 -0.575180D+01 -0.408511D+01
      2  -0.133517D+02  0.590631D+01 -0.361282D+01 -0.983572D+00 -0.176600D+01
      3   0.130558D+02 -0.579799D+01  0.567872D+00  0.673537D+01  0.585111D+01
      4  -0.264581D+02 -0.463724D+01 -0.148984D+02  0.130729D+01 -0.208974D+01
      5  -0.565015D+01 -0.749434D+01 -0.269921D+01 -0.155533D+01  0.518058D+01
      6  -0.493686D+01 -0.925956D+01 -0.155281D+01  0.320926D+01 -0.557139D+01
                46            47            48            49            50 
      1   0.222257D+02  0.956217D+01  0.300557D+01  0.125845D+02 -0.122901D+02
      2  -0.698697D+01  0.186173D+01 -0.213543D+01  0.997104D+00  0.344840D+02
      3  -0.152387D+02 -0.114239D+02 -0.870146D+00 -0.135816D+02 -0.221939D+02
      4   0.253887D+02  0.268012D+02  0.646559D+01  0.323708D+02  0.537728D+02
      5   0.895114D+01  0.698615D+01  0.122266D+02  0.645709D+01  0.106674D+02
      6   0.260310D+01  0.222982D+01  0.547126D+01  0.378065D+01  0.641930D+01
                51            52            53            54            55 
      1  -0.327503D+01  0.355279D+01 -0.137664D+01 -0.176767D+01  0.423165D+02
      2   0.112977D+01 -0.171088D+01  0.129203D+01 -0.564966D+00 -0.256166D+02
      3   0.214527D+01 -0.184191D+01  0.846185D-01  0.233264D+01 -0.166999D+02
      4   0.885216D+01  0.645787D+01  0.604471D+01  0.143647D+02 -0.178980D+02
      5   0.145446D+02  0.143582D+02  0.144652D+02  0.107628D+02 -0.137110D+02
      6   0.145685D+02  0.638659D+01  0.124990D+02  0.669244D+01  0.221460D+01
                56            57            58            59            60 
      1  -0.606331D+01 -0.693027D+01  0.643106D+01  0.111281D+02 -0.286438D+01
      2   0.103173D+01  0.888770D+01 -0.714966D+01 -0.295301D+01  0.293690D+00
      3   0.503158D+01 -0.195743D+01  0.718597D+00 -0.817508D+01  0.257069D+01
      4   0.196345D+02  0.497889D+01  0.200063D+02 -0.644085D+01 -0.255663D+01
      5   0.431419D+01  0.170086D+02  0.826484D+00 -0.416283D+01 -0.134033D+01
      6  -0.128621D+01 -0.368316D+01 -0.685776D+00  0.169480D+01  0.735494D+01
                61            62            63            64            65 
      1  -0.357862D+01  0.215734D+01  0.316443D+01  0.256805D+00  0.151589D+00
      2   0.460249D+01 -0.166982D+01 -0.112801D+02 -0.343507D+01  0.659305D+00
      3  -0.102386D+01 -0.487525D+00  0.811562D+01  0.317826D+01 -0.810894D+00
      4   0.722385D+01 -0.497642D+01 -0.678832D+01 -0.404780D+00  0.739113D+00
      5   0.164034D+02 -0.628428D+01 -0.171549D+02 -0.737571D+00  0.941646D+00
      6  -0.193814D+01  0.522163D+01  0.334257D+01  0.105929D+01 -0.365618D+00
                66            67            68            69            70 
      1   0.123522D+01  0.141841D+00 -0.452054D+01 -0.355306D+01  0.139373D+01
      2   0.728222D+00  0.860596D+00  0.255727D+00 -0.183433D+01  0.764009D+00
      3  -0.196345D+01 -0.100244D+01  0.426481D+01  0.538739D+01 -0.215774D+01
      4   0.447279D+00  0.264190D+01 -0.790956D+00 -0.885804D-01  0.926804D+00
      5   0.430860D+01  0.113028D+01 -0.199873D+00 -0.454988D+00  0.433091D+01
      6  -0.164420D+00 -0.701770D+00  0.367323D+01  0.733061D+01 -0.762075D+00
                71            72            73            74            75 
      1  -0.228330D+01 -0.179004D+02  0.392784D+01  0.232326D-01  0.258305D+01
      2  -0.378537D+01 -0.134817D+02 -0.455244D+01  0.158284D+00  0.869644D+00
      3   0.606867D+01  0.313821D+02  0.624602D+00 -0.181517D+00 -0.345270D+01
      4   0.881113D+00  0.152800D+00 -0.613267D+00  0.227549D+01 -0.171694D+00
      5   0.353972D+00  0.619770D+00 -0.190511D+01  0.634601D+00  0.562104D+01
      6   0.508576D+01  0.506390D+01  0.570655D+00 -0.587931D+00  0.365040D+00
                76            77            78            79            80 
      1   0.426698D+01 -0.406860D+01 -0.242609D+01  0.871443D+01  0.867229D+00
      2  -0.134458D+01  0.144226D+01 -0.167189D+01 -0.959914D+00 -0.126144D+01
      3  -0.292240D+01  0.262634D+01  0.409797D+01 -0.775451D+01  0.394210D+00
      4  -0.440519D+00  0.704140D+00  0.987813D+00 -0.184153D+01  0.485416D+00
      5   0.544825D+00  0.485185D+00  0.131259D+01  0.248338D+01 -0.685303D+00
      6  -0.687079D+00  0.400867D+00  0.358570D+01  0.105677D+01  0.372074D+01
                81            82            83            84            85 
      1  -0.214275D+02  0.100781D+01 -0.233201D+01  0.280550D+00 -0.975906D+01
      2  -0.808350D+01  0.202870D+01  0.301726D+01 -0.764005D-02  0.883722D+01
      3   0.295110D+02 -0.303650D+01 -0.685254D+00 -0.272910D+00  0.921844D+00
      4   0.829458D+00  0.158903D+01  0.592020D+01  0.468088D+00  0.245340D+01
      5   0.479216D+01 -0.206720D+00 -0.223657D+00  0.200992D+01 -0.788385D+00
      6  -0.433623D+01  0.335476D+00 -0.962158D+00  0.431265D+00 -0.157969D+01
                86            87            88            89            90 
      1  -0.211390D+02  0.296560D+01 -0.261430D+01 -0.384761D+00 -0.435288D+01
      2   0.283233D+02 -0.197428D+01  0.228726D+01  0.103572D+01  0.232908D+01
      3  -0.718425D+01 -0.991319D+00  0.327041D+00 -0.650961D+00  0.202380D+01
      4  -0.448251D+01  0.546388D+00  0.678352D-01 -0.116976D+01 -0.314992D+00
      5  -0.287294D+00 -0.393734D+00  0.627075D+00 -0.677859D+00 -0.305751D+00
      6  -0.537598D+01  0.417921D+01  0.141067D+01  0.431376D+01 -0.765440D+00
                91            92            93            94            95 
      1  -0.131302D+02 -0.512028D+01  0.204235D+01 -0.143610D+02 -0.823060D+01
      2   0.104364D+02  0.178373D+01 -0.305467D+01  0.815099D+01  0.919419D+01
      3   0.269379D+01  0.333654D+01  0.101233D+01  0.620997D+01 -0.963589D+00
      4  -0.229718D+01 -0.249707D+01 -0.103478D+01  0.426703D+01 -0.148002D+02
      5   0.379139D+01  0.428895D-01 -0.385452D+01  0.472626D+01 -0.282182D+01
      6  -0.157406D+01 -0.606279D+00 -0.120781D+01 -0.277397D+01  0.414336D+01
                96            97            98            99           100 
      1   0.786400D+00  0.144875D+01 -0.250002D+01 -0.275577D+01  0.499150D+01
      2  -0.784454D+00 -0.106398D+01  0.202305D+01  0.702898D+00  0.102589D+01
      3  -0.194608D-02 -0.384776D+00  0.476966D+00  0.205287D+01 -0.601740D+01
      4  -0.462599D+01  0.423993D+00 -0.242217D+01 -0.247968D+01  0.112020D+02
      5  -0.598617D+01  0.196968D+01 -0.245902D+01 -0.239810D+01 -0.384118D+00
      6   0.323189D+01 -0.719984D+00  0.361716D+01  0.387899D+01  0.247864D+01
               101           102           103           104           105 
      1  -0.932124D+01  0.162710D+01 -0.338643D+01 -0.228701D+01 -0.471600D-01
      2   0.130665D+02  0.195862D+00  0.615802D+01  0.634328D+01  0.510824D+00
      3  -0.374531D+01 -0.182297D+01 -0.277159D+01 -0.405627D+01 -0.463664D+00
      4   0.842475D+01  0.171386D+01  0.825076D+01  0.722374D+01  0.870897D+00
      5  -0.208958D-01 -0.393261D-01 -0.745487D+00  0.333733D+00  0.161683D+01
      6  -0.613277D+00  0.448807D+01 -0.112927D+00 -0.201860D-01  0.270562D+01
               106           107           108           109           110 
      1  -0.134949D+00 -0.168443D+01 -0.159004D+01 -0.100124D+01  0.189651D+01
      2   0.418721D+00  0.197678D+01  0.749277D+00  0.139423D+01 -0.188884D+01
      3  -0.283772D+00 -0.292346D+00  0.840760D+00 -0.392985D+00 -0.766865D-02
      4   0.347122D+01  0.121076D+01  0.165836D+01 -0.225712D+01  0.452436D+01
      5   0.154788D+01  0.128562D+01  0.189027D+00  0.138243D+01 -0.233652D+01
      6   0.576171D+00  0.338440D+01  0.146672D+01 -0.274067D+01  0.333540D+01
               111           112           113           114           115 
      1  -0.137820D+01  0.155682D+01 -0.134786D+02  0.819044D+01 -0.265415D+01
      2   0.632375D+00 -0.192430D+01  0.158204D+02 -0.851816D+01  0.142503D+01
      3   0.745821D+00  0.367481D+00 -0.234181D+01  0.327718D+00  0.122912D+01
      4  -0.319767D+01  0.437008D+01 -0.257666D+01  0.174138D+01 -0.365167D+01
      5   0.342121D+01 -0.109827D+01  0.132718D+01 -0.973976D+00  0.329068D+01
      6  -0.554216D+01  0.200181D+01 -0.147315D+02  0.142492D+02 -0.465386D+01
               116           117           118           119           120 
      1   0.129296D+02 -0.131526D+02  0.271269D+02 -0.554981D+01  0.173662D+02
      2  -0.113128D+02  0.679921D+01 -0.177107D+02  0.285863D+01 -0.109387D+02
      3  -0.161681D+01  0.635342D+01 -0.941623D+01  0.269117D+01 -0.642750D+01
      4   0.327321D+01 -0.385656D+01 -0.851470D+01  0.818407D+01 -0.498641D+01
      5  -0.214960D+01  0.312807D+01  0.228948D+02 -0.459971D+01  0.232822D+02
      6   0.182255D+02 -0.189748D+02 -0.333903D+01  0.113783D+01 -0.240966D+01
               121           122           123           124           125 
      1  -0.447826D+01  0.974986D+00 -0.300924D+01  0.195832D+02 -0.383449D+01
      2   0.239686D+01 -0.129643D+00  0.146349D+01 -0.161137D+02  0.364989D+01
      3   0.208140D+01 -0.845342D+00  0.154576D+01 -0.346948D+01  0.184600D+00
      4   0.737320D+01 -0.396794D+01  0.542521D+01 -0.973495D+01  0.845367D+01
      5  -0.720123D+01  0.518157D+01 -0.112820D+02  0.309941D+02 -0.110735D+02
      6   0.287824D+01 -0.277621D+01  0.685978D+01 -0.456291D+01  0.471353D+01
               126 
      1   0.129157D+02
      2  -0.175175D+02
      3   0.460181D+01
      4  -0.116926D+02
      5   0.405338D+02
      6  -0.685904D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.168738D+01      0.428889D+01      0.143062D+02
   x          0.126382D+01      0.321232D+01      0.107151D+02
   y          0.111109D+01      0.282410D+01      0.942018D+01
   z          0.124443D+00      0.316304D+00      0.105508D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.690623D+02      0.102340D+02      0.113868D+02
   aniso      0.245752D+02      0.364167D+01      0.405191D+01
   xx         0.842092D+02      0.124785D+02      0.138842D+02
   yx         0.105343D+01      0.156102D+00      0.173686D+00
   yy         0.666948D+02      0.988315D+01      0.109965D+02
   zx        -0.460358D+00     -0.682180D-01     -0.759028D-01
   zy         0.906411D+00      0.134316D+00      0.149447D+00
   zz         0.562831D+02      0.834029D+01      0.927982D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.766055D+02      0.113518D+02      0.126305D+02
   aniso      0.248460D+02      0.368179D+01      0.409655D+01
   xx         0.912320D+02      0.135192D+02      0.150421D+02
   yx         0.830241D+00      0.123029D+00      0.136888D+00
   yy         0.754633D+02      0.111825D+02      0.124422D+02
   zx        -0.101974D+01     -0.151110D+00     -0.168133D+00
   zy         0.234720D+01      0.347820D+00      0.387001D+00
   zz         0.631210D+02      0.935357D+01      0.104073D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.58112867         -1.86637353          0.40714837
    16          2.46131600         -2.29265450          3.29033860
     6          0.28819672          0.94977742         -0.16971886
     7         -1.18447295          2.22349955          1.79673540
     6         -1.07906137          1.16052260         -2.73251525
     8         -0.07908713          0.64073368         -4.69988145
     8         -3.48424416          1.90534065         -2.54138774
     1          2.16560639          1.77252208         -0.43886912
     1         -1.27497411         -2.71331578          0.68958041
     1          1.50783137         -2.77752793         -1.18237021
     1         -3.75437528          2.22197396         -0.72620678
     1         -0.94893408          1.35650657          3.48981572
     1         -0.65214473          4.04959856          2.00216909
     1          1.63230811         -4.62392650          3.84395850

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.168738D+01      0.428889D+01      0.143062D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.168738D+01      0.428889D+01      0.143062D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.690623D+02      0.102340D+02      0.113868D+02
   aniso      0.245752D+02      0.364167D+01      0.405191D+01
   xx         0.653391D+02      0.968225D+01      0.107730D+02
   yx        -0.859864D+01     -0.127419D+01     -0.141772D+01
   yy         0.643083D+02      0.952951D+01      0.106030D+02
   zx         0.657279D+01      0.973987D+00      0.108371D+01
   zy        -0.547832D+01     -0.811804D+00     -0.903254D+00
   zz         0.775396D+02      0.114902D+02      0.127846D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.766055D+02      0.113518D+02      0.126305D+02
   aniso      0.248460D+02      0.368179D+01      0.409655D+01
   xx         0.741159D+02      0.109828D+02      0.122201D+02
   yx        -0.950264D+01     -0.140815D+01     -0.156677D+01
   yy         0.705241D+02      0.104506D+02      0.116279D+02
   zx         0.559637D+01      0.829297D+00      0.922717D+00
   zy        -0.508273D+01     -0.753183D+00     -0.838030D+00
   zz         0.851764D+02      0.126218D+02      0.140437D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-U22-24\Freq\RLC-PBEPBE\Gen\C3H7N1O2S1\PIERPA\16-Aug-2021\
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 My opinions may have changed, but not the fact that I am right.
                       -- Ashleigh Brilliant
 Job cpu time:       0 days  1 hours 25 minutes 58.9 seconds.
 Elapsed time:       0 days  0 hours 10 minutes 47.1 seconds.
 File lengths (MBytes):  RWF=    218 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Mon Aug 16 21:30:42 2021.
